N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide

C17H15F2NO2 — CID 26664203

IUPACN-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1ccc(F)c(NC(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H15F2NO2/c1-11-2-7-14(19)15(10-11)20-17(22)9-8-16(21)12-3-5-13(18)6-4-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyIAIAKSZZAYUJGY-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.87
Rot. Bonds5

About N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 26664203) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID26664203
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC NameN-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1ccc(F)c(NC(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H15F2NO2/c1-11-2-7-14(19)15(10-11)20-17(22)9-8-16(21)12-3-5-13(18)6-4-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyIAIAKSZZAYUJGY-UHFFFAOYSA-N
XLogP3.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-fluoro-5-methylphenyl)-4-(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-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
CID 9314118
N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 134019498
N-(4-chloro-2-nitrophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807032

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 26664203) is N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is Cc1ccc(F)c(NC(=O)CCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is IAIAKSZZAYUJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-11-2-7-14(19)15(10-11)20-17(22)9-8-16(21)12-3-5-13(18)6-4-12/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 303.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 26664203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).