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

C17H15F2NO2 — CID 9211912

IUPACN-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1ccc(F)cc1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO2/c1-11-2-5-14(19)10-15(11)20-17(22)9-8-16(21)12-3-6-13(18)7-4-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyIGIDALJVKHWMPT-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.87
Rot. Bonds5

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

N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 9211912) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID9211912
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCc1ccc(F)cc1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO2/c1-11-2-5-14(19)10-15(11)20-17(22)9-8-16(21)12-3-6-13(18)7-4-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyIGIDALJVKHWMPT-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

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110618430
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793
N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
CID 9314118
2-(4-acetylanilino)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18096453
4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
CID 18158983
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 9211912) is N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is Cc1ccc(F)cc1NC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is IGIDALJVKHWMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-11-2-5-14(19)10-15(11)20-17(22)9-8-16(21)12-3-6-13(18)7-4-12/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 9211912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).