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

C24H21N3O3 — CID 5279340

IUPAC2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCCOc1ccccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C24H21N3O3/c1-2-30-20-15-9-7-13-18(20)23(28)27-22-24(29)25-19-14-8-6-12-17(19)21(26-22)16-10-4-3-5-11-16/h3-15,22H,2H2,1H3,(H,25,29)(H,27,28)
InChIKeyDWOPFUAVIKBHII-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.63
Rot. Bonds5

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

2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (PubChem CID 5279340) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
PubChem CID5279340
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCCOc1ccccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C24H21N3O3/c1-2-30-20-15-9-7-13-18(20)23(28)27-22-24(29)25-19-14-8-6-12-17(19)21(26-22)16-10-4-3-5-11-16/h3-15,22H,2H2,1H3,(H,25,29)(H,27,28)
InChIKeyDWOPFUAVIKBHII-UHFFFAOYSA-N
XLogP3.63
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methoxy-4-methylsulfonyl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 5279175
4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
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5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
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CID 10526455
2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (CID 5279340) is 2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is CCOc1ccccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of 2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The InChIKey is DWOPFUAVIKBHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-2-30-20-15-9-7-13-18(20)23(28)27-22-24(29)25-19-14-8-6-12-17(19)21(26-22)16-10-4-3-5-11-16/h3-15,22H,2H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is sourced from PubChem (CID 5279340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).