2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

C23H19N3O3 — CID 5279109

IUPAC2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C23H19N3O3/c1-29-19-14-8-6-12-17(19)22(27)26-21-23(28)24-18-13-7-5-11-16(18)20(25-21)15-9-3-2-4-10-15/h2-14,21H,1H3,(H,24,28)(H,26,27)
InChIKeyHENQCOBRCXLFNN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.24
Rot. Bonds4

About 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (PubChem CID 5279109) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
PubChem CID5279109
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C23H19N3O3/c1-29-19-14-8-6-12-17(19)22(27)26-21-23(28)24-18-13-7-5-11-16(18)20(25-21)15-9-3-2-4-10-15/h2-14,21H,1H3,(H,24,28)(H,26,27)
InChIKeyHENQCOBRCXLFNN-UHFFFAOYSA-N
XLogP3.24
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The IUPAC name of 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (CID 5279109) is 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is COc1ccccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The InChIKey is HENQCOBRCXLFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-19-14-8-6-12-17(19)22(27)26-21-23(28)24-18-13-7-5-11-16(18)20(25-21)15-9-3-2-4-10-15/h2-14,21H,1H3,(H,24,28)(H,26,27).
What are the key properties of 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide has a molecular weight of 385.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is sourced from PubChem (CID 5279109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).