N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide

C22H19N3O2 — CID 137355564

IUPACN-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide
SMILESO=C(N[C@H]1CN(c2ccccc2)c2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C22H19N3O2/c26-21(16-9-3-1-4-10-16)24-19-15-25(17-11-5-2-6-12-17)20-14-8-7-13-18(20)23-22(19)27/h1-14,19H,15H2,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeySGJBYINJHAKPKC-IBGZPJMESA-N
MW357.41 g/mol
LogP3.58
Rot. Bonds3

About N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide

N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide (PubChem CID 137355564) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide
PubChem CID137355564
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide
SMILESO=C(N[C@H]1CN(c2ccccc2)c2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C22H19N3O2/c26-21(16-9-3-1-4-10-16)24-19-15-25(17-11-5-2-6-12-17)20-14-8-7-13-18(20)23-22(19)27/h1-14,19H,15H2,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeySGJBYINJHAKPKC-IBGZPJMESA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea
CID 142493010
N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide
CID 137355840
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
(2S,3R)-N'-[(3S)-5-(3-cyclopropylphenyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
CID 73442416
N-[(3S)-5-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]-2,2-bis(3,3,3-trifluoropropyl)butanediamide
CID 90083253
tert-butyl N-[(3R)-5-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate
CID 59773526
3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide
CID 97350110
N-(3-oxooxazinan-4-yl)benzamide
CID 22561655
N-[(3R)-1-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]pyrrolidin-3-yl]benzamide
CID 129434620
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide?
The IUPAC name of N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide (CID 137355564) is N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide?
The canonical SMILES for N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide is O=C(N[C@H]1CN(c2ccccc2)c2ccccc2NC1=O)c1ccccc1.
What is the InChIKey of N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide?
The InChIKey is SGJBYINJHAKPKC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21(16-9-3-1-4-10-16)24-19-15-25(17-11-5-2-6-12-17)20-14-8-7-13-18(20)23-22(19)27/h1-14,19H,15H2,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide?
N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 137355564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).