4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide

C16H13ClFNO2 — CID 42029067

IUPAC4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO2/c17-12-3-1-11(2-4-12)15(20)9-10-16(21)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21)
InChIKeyCAAAECPOKVRTTH-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.08
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide

4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 42029067) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
PubChem CID42029067
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO2/c17-12-3-1-11(2-4-12)15(20)9-10-16(21)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21)
InChIKeyCAAAECPOKVRTTH-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-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

N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 26716884
4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108739319
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide (CID 42029067) is 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is CAAAECPOKVRTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-12-3-1-11(2-4-12)15(20)9-10-16(21)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21).
What are the key properties of 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 305.74 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 42029067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).