N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide

C17H15F3N2O2 — CID 108796783

IUPACN-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c1-10-7-8-12(21-11(2)23)9-15(10)22-16(24)13-5-3-4-6-14(13)17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyITFKXAGIJALDAD-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.22
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide

N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 108796783) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID108796783
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c1-10-7-8-12(21-11(2)23)9-15(10)22-16(24)13-5-3-4-6-14(13)17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyITFKXAGIJALDAD-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

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CID 87595403
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
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2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
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N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175
N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide
CID 141117667
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
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N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide (CID 108796783) is N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide is CC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is ITFKXAGIJALDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10-7-8-12(21-11(2)23)9-15(10)22-16(24)13-5-3-4-6-14(13)17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide?
N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide 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-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108796783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).