3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide

C25H22ClN3O2 — CID 22872975

IUPAC3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide
SMILESCC(C)N1C(=O)[C@H](NC(=O)c2cccc(Cl)c2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22ClN3O2/c1-16(2)29-21-14-7-6-13-20(21)22(17-9-4-3-5-10-17)27-23(25(29)31)28-24(30)18-11-8-12-19(26)15-18/h3-16,23H,1-2H3,(H,28,30)/t23-/m0/s1
InChIKeyUQSJBLBIXMPSNR-QHCPKHFHSA-N
MW431.92 g/mol
LogP4.69
Rot. Bonds4

About 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide

3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide (PubChem CID 22872975) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide
PubChem CID22872975
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide
SMILESCC(C)N1C(=O)[C@H](NC(=O)c2cccc(Cl)c2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22ClN3O2/c1-16(2)29-21-14-7-6-13-20(21)22(17-9-4-3-5-10-17)27-23(25(29)31)28-24(30)18-11-8-12-19(26)15-18/h3-16,23H,1-2H3,(H,28,30)/t23-/m0/s1
InChIKeyUQSJBLBIXMPSNR-QHCPKHFHSA-N
XLogP4.69
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide with MolForge

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Related Compounds

2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide
CID 19045846
N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 10499323
4-chloro-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 14208244
3-cyclohexyl-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide
CID 19045832
2-(1-adamantyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide
CID 22872966
2-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzamide
CID 14208250
3-amino-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-2-one
CID 10589821
5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
CID 70002816
N-[(3,5-dichlorophenyl)methyl]-2-methyl-N'-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanediamide
CID 69284276
4-amino-3-chloro-N-[1-[2-[[(2S)-1,4-dioxopentan-2-yl]amino]-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 59976269
1-(4-chloro-2-methylphenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
CID 154812394
N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide
CID 57403161

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide (CID 22872975) is 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide is CC(C)N1C(=O)[C@H](NC(=O)c2cccc(Cl)c2)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide?
The InChIKey is UQSJBLBIXMPSNR-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-16(2)29-21-14-7-6-13-20(21)22(17-9-4-3-5-10-17)27-23(25(29)31)28-24(30)18-11-8-12-19(26)15-18/h3-16,23H,1-2H3,(H,28,30)/t23-/m0/s1.
What are the key properties of 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide?
3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide has a molecular weight of 431.92 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 22872975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).