4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide

C18H18FNO2 — CID 9040199

IUPAC4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H18FNO2/c1-12-3-4-14(11-13(12)2)17(21)9-10-18(22)20-16-7-5-15(19)6-8-16/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyRJNHRHRGGFIFJP-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.04
Rot. Bonds5

About 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 9040199) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
PubChem CID9040199
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H18FNO2/c1-12-3-4-14(11-13(12)2)17(21)9-10-18(22)20-16-7-5-15(19)6-8-16/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyRJNHRHRGGFIFJP-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-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-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9426993
2-[4-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9405198
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796648
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
4-(3,4-dimethylphenyl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxobutanamide
CID 55945815
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29198112
N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 18154236

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide (CID 9040199) is 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is RJNHRHRGGFIFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12-3-4-14(11-13(12)2)17(21)9-10-18(22)20-16-7-5-15(19)6-8-16/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 299.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 9040199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).