BENZAMIDE, N,N'-1,2-ETHANEDIYLBIS-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YMU5QQF59S
EPA CompTox DTXSID4060943

Structure

InChI Key NWGGAHDZCNJXJA-UHFFFAOYSA-N
Smiles O=C(NCCNC(=O)c1ccccc1)c1ccccc1
InChI
InChI=1S/C16H16N2O2/c19-15(13-7-3-1-4-8-13)17-11-12-18-16(20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16N2O2
Molecular Weight 268.12
AlogP 3.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 65.18
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 644-33-7
NORMAN SUSDAT
FDA SRS YMU5QQF59S
PubChem 69518
ChemSpider 62723.0
CONTENTS