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

C16H12F3NO2 — CID 9165788

IUPACN-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F3NO2/c17-11-3-1-10(2-4-11)15(21)7-8-16(22)20-12-5-6-13(18)14(19)9-12/h1-6,9H,7-8H2,(H,20,22)
InChIKeyJACNCUDYJHXVMH-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.71
Rot. Bonds5

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

N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 9165788) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID9165788
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC NameN-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F3NO2/c17-11-3-1-10(2-4-11)15(21)7-8-16(22)20-12-5-6-13(18)14(19)9-12/h1-6,9H,7-8H2,(H,20,22)
InChIKeyJACNCUDYJHXVMH-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003
4-(4-fluorophenyl)-N-(3-nitrophenyl)-4-oxobutanamide
CID 9411044

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 9165788) is N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is JACNCUDYJHXVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-11-3-1-10(2-4-11)15(21)7-8-16(22)20-12-5-6-13(18)14(19)9-12/h1-6,9H,7-8H2,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 307.27 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 9165788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).