N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide

C19H20ClNO2 — CID 9272793

IUPACN-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2C)cc1C
InChIInChI=1S/C19H20ClNO2/c1-12-4-6-15(10-14(12)3)18(22)8-9-19(23)21-17-11-16(20)7-5-13(17)2/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)
InChIKeyMUKAFAVENUFIHS-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.87
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide

N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 9272793) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
PubChem CID9272793
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2C)cc1C
InChIInChI=1S/C19H20ClNO2/c1-12-4-6-15(10-14(12)3)18(22)8-9-19(23)21-17-11-16(20)7-5-13(17)2/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)
InChIKeyMUKAFAVENUFIHS-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-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

N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
4-(3,4-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)-4-oxobutanamide
CID 108807985
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796648
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343380
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide (CID 9272793) is N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2C)cc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is MUKAFAVENUFIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-12-4-6-15(10-14(12)3)18(22)8-9-19(23)21-17-11-16(20)7-5-13(17)2/h4-7,10-11H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 329.83 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 9272793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).