N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide

C25H24ClNO2 — CID 10740078

IUPACN-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)C(C)C(C(=O)Nc2ccc(Cl)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24ClNO2/c1-16-4-8-19(9-5-16)23(25(29)27-22-14-12-21(26)13-15-22)18(3)24(28)20-10-6-17(2)7-11-20/h4-15,18,23H,1-3H3,(H,27,29)
InChIKeyWTSMKIPOVYUBQR-UHFFFAOYSA-N
MW405.93 g/mol
LogP6.20
Rot. Bonds6

About N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide

N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide (PubChem CID 10740078) has the molecular formula C25H24ClNO2 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide
PubChem CID10740078
Molecular FormulaC25H24ClNO2
Molecular Weight405.93 g/mol
Exact Mass405.15
IUPAC NameN-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)C(C)C(C(=O)Nc2ccc(Cl)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24ClNO2/c1-16-4-8-19(9-5-16)23(25(29)27-22-14-12-21(26)13-15-22)18(3)24(28)20-10-6-17(2)7-11-20/h4-15,18,23H,1-3H3,(H,27,29)
InChIKeyWTSMKIPOVYUBQR-UHFFFAOYSA-N
XLogP6.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
dimethyl 2-[(1S,2R)-1-(4-chlorophenyl)-2-methyl-3-(4-methylphenyl)-3-oxopropyl]propanedioate
CID 7321821
4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide
CID 8503860
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
CID 2485585
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
CID 1217838
3-acetyl-4-(4-chlorobenzoyl)-5-[1-(4-methylanilino)ethylidene]heptane-2,6-dione
CID 138961605
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-methylbenzoate
CID 7972023
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428
(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
CID 7944876
(2S)-2-(4-chlorophenyl)-3-methyl-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]butanamide
CID 7762141

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide (CID 10740078) is N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)C(C)C(C(=O)Nc2ccc(Cl)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide?
The InChIKey is WTSMKIPOVYUBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO2/c1-16-4-8-19(9-5-16)23(25(29)27-22-14-12-21(26)13-15-22)18(3)24(28)20-10-6-17(2)7-11-20/h4-15,18,23H,1-3H3,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide?
N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide has a molecular weight of 405.93 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 10740078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).