N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide

C17H15Cl2NO2 — CID 26664486

IUPACN-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2NO2/c1-11-10-14(19)6-7-15(11)20-17(22)9-8-16(21)12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyPNOGERYPTKBRJZ-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.90
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide

N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide (PubChem CID 26664486) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
PubChem CID26664486
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2NO2/c1-11-10-14(19)6-7-15(11)20-17(22)9-8-16(21)12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyPNOGERYPTKBRJZ-UHFFFAOYSA-N
XLogP4.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-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-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 108808163
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
methyl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-3-hydroxybenzoate
CID 108744924
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
N-(4-chloro-2-methylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopentanamide
CID 110344599
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
CID 38168905

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide (CID 26664486) is N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide is Cc1cc(Cl)ccc1NC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The InChIKey is PNOGERYPTKBRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-11-10-14(19)6-7-15(11)20-17(22)9-8-16(21)12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide has a molecular weight of 336.22 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 26664486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).