N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide

C17H15F3N2O2 — CID 47079713

IUPACN-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H15F3N2O2/c1-10-3-5-12(6-4-10)16(24)22-15-9-13(17(18,19)20)7-8-14(15)21-11(2)23/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyAXOVFKLQGWWCGG-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.22
Rot. Bonds3

About N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide

N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 47079713) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID47079713
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H15F3N2O2/c1-10-3-5-12(6-4-10)16(24)22-15-9-13(17(18,19)20)7-8-14(15)21-11(2)23/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyAXOVFKLQGWWCGG-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49163356
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 48524891
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 48524407
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 166229195
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 47079713) is N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide is CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is AXOVFKLQGWWCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10-3-5-12(6-4-10)16(24)22-15-9-13(17(18,19)20)7-8-14(15)21-11(2)23/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 336.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 47079713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).