N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

C25H23N3O2 — CID 4231093

IUPACN-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)c1C
InChIInChI=1S/C25H23N3O2/c1-17-9-8-13-21(18(17)2)27-23(29)16-28-22-14-7-6-12-20(22)25(26-15-24(28)30)19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyBBNVUNDSLFKUSI-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.13
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 4231093) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID4231093
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)c1C
InChIInChI=1S/C25H23N3O2/c1-17-9-8-13-21(18(17)2)27-23(29)16-28-22-14-7-6-12-20(22)25(26-15-24(28)30)19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyBBNVUNDSLFKUSI-UHFFFAOYSA-N
XLogP4.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 19432598
N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891070
N-(2,3-dimethylphenyl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 113202033
N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366880
1-acetyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570850
N-(2,3-dimethylphenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17438209
2-(7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 15993350
N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048265
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095250
N-(2,3-dimethylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 959550
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8503623
2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)-N-(2-methylphenyl)acetamide
CID 20882778

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (CID 4231093) is N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is Cc1cccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is BBNVUNDSLFKUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-9-8-13-21(18(17)2)27-23(29)16-28-22-14-7-6-12-20(22)25(26-15-24(28)30)19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 4231093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).