N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide

C16H14FNO2 — CID 17407608

IUPACN-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C16H14FNO2/c1-10-7-8-12(9-14(10)17)16(20)18-15-6-4-3-5-13(15)11(2)19/h3-9H,1-2H3,(H,18,20)
InChIKeyMTYSWTNYHIIGKL-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.59
Rot. Bonds3

About N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide

N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide (PubChem CID 17407608) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
PubChem CID17407608
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C16H14FNO2/c1-10-7-8-12(9-14(10)17)16(20)18-15-6-4-3-5-13(15)11(2)19/h3-9H,1-2H3,(H,18,20)
InChIKeyMTYSWTNYHIIGKL-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
CID 47421879
N-(2-acetylphenyl)-3-amino-4-methylbenzamide
CID 110488218
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405723
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 31969058
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide (CID 17407608) is N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide is CC(=O)c1ccccc1NC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide?
The InChIKey is MTYSWTNYHIIGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-10-7-8-12(9-14(10)17)16(20)18-15-6-4-3-5-13(15)11(2)19/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide?
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide has a molecular weight of 271.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 17407608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).