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

C26H23Cl2N3O2 — CID 19045846

IUPAC2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide
SMILESCC(C)N1C(=O)C(NC(=O)Cc2ccc(Cl)cc2Cl)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H23Cl2N3O2/c1-16(2)31-22-11-7-6-10-20(22)24(17-8-4-3-5-9-17)30-25(26(31)33)29-23(32)14-18-12-13-19(27)15-21(18)28/h3-13,15-16,25H,14H2,1-2H3,(H,29,32)
InChIKeyRIAZGHQGAJKAQW-UHFFFAOYSA-N
MW480.40 g/mol
LogP5.27
Rot. Bonds5

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

2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide (PubChem CID 19045846) has the molecular formula C26H23Cl2N3O2 and a molecular weight of 480.40 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide
PubChem CID19045846
Molecular FormulaC26H23Cl2N3O2
Molecular Weight480.40 g/mol
Exact Mass479.12
IUPAC Name2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide
SMILESCC(C)N1C(=O)C(NC(=O)Cc2ccc(Cl)cc2Cl)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H23Cl2N3O2/c1-16(2)31-22-11-7-6-10-20(22)24(17-8-4-3-5-9-17)30-25(26(31)33)29-23(32)14-18-12-13-19(27)15-21(18)28/h3-13,15-16,25H,14H2,1-2H3,(H,29,32)
InChIKeyRIAZGHQGAJKAQW-UHFFFAOYSA-N
XLogP5.27
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 22872975
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-(2,4-dichlorophenyl)-N-(4-oxo-1-phenyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-3-yl)acetamide
CID 19690939
4-[(3R)-3-[[(2S)-3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
CID 101218657
N-[(3R)-7-amino-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2,4-dichlorophenyl)propanamide
CID 54083697
1-(4-chloro-2-methylphenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
CID 154812394
3-cyclohexyl-N-[5-(2-fluorophenyl)-2-oxo-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide
CID 19045837
N-[(3,5-dichlorophenyl)methyl]-2-methyl-N'-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanediamide
CID 69284276
4-chloro-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 14208244
3-amino-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-2-one
CID 10589821
N-(5-tert-butyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(2,4-dichlorophenyl)propanamide
CID 18969012

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide (CID 19045846) is 2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide is CC(C)N1C(=O)C(NC(=O)Cc2ccc(Cl)cc2Cl)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide?
The InChIKey is RIAZGHQGAJKAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O2/c1-16(2)31-22-11-7-6-10-20(22)24(17-8-4-3-5-9-17)30-25(26(31)33)29-23(32)14-18-12-13-19(27)15-21(18)28/h3-13,15-16,25H,14H2,1-2H3,(H,29,32).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide?
2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide has a molecular weight of 480.40 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)acetamide is sourced from PubChem (CID 19045846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).