2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide

C15H12FNO2 — CID 144811331

IUPAC2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide
SMILESCc1cc(C(=O)C(N)=O)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FNO2/c1-9-8-11(14(18)15(17)19)4-7-13(9)10-2-5-12(16)6-3-10/h2-8H,1H3,(H2,17,19)
InChIKeyNLEKWKZFFBZYAK-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.47
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide

2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide (PubChem CID 144811331) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide
PubChem CID144811331
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide
SMILESCc1cc(C(=O)C(N)=O)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FNO2/c1-9-8-11(14(18)15(17)19)4-7-13(9)10-2-5-12(16)6-3-10/h2-8H,1H3,(H2,17,19)
InChIKeyNLEKWKZFFBZYAK-UHFFFAOYSA-N
XLogP2.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
4-fluoro-3-(4-fluorophenyl)benzamide
CID 46312266
1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one
CID 141321542
4-[1-[4-(4-fluorophenyl)-3-methylphenoxy]heptyl]benzamide
CID 141128283
4-(4-ethoxycarbonylphenyl)-3-methylbenzoic acid
CID 53227859
3-bromo-4-(4-fluoro-2-methylphenyl)benzamide
CID 165449462
4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
CID 82307548
3-(4-fluorophenyl)-4-methyl-1H-pyrrole
CID 142280094
N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide
CID 137475158
2-(4-ethoxy-3-methylphenyl)-2-oxoacetamide
CID 116924441

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide (CID 144811331) is 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide is Cc1cc(C(=O)C(N)=O)ccc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide?
The InChIKey is NLEKWKZFFBZYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-9-8-11(14(18)15(17)19)4-7-13(9)10-2-5-12(16)6-3-10/h2-8H,1H3,(H2,17,19).
What are the key properties of 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide?
2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide has a molecular weight of 257.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide is sourced from PubChem (CID 144811331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).