2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide

C17H16ClF3N2O — CID 109007403

IUPAC2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CNc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C17H16ClF3N2O/c1-10-3-4-11(2)14(7-10)23-16(24)9-22-15-8-12(17(19,20)21)5-6-13(15)18/h3-8,22H,9H2,1-2H3,(H,23,24)
InChIKeyUQMHQCMOYUDGGB-UHFFFAOYSA-N
MW356.78 g/mol
LogP5.03
Rot. Bonds4

About 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide

2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 109007403) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID109007403
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC Name2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CNc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C17H16ClF3N2O/c1-10-3-4-11(2)14(7-10)23-16(24)9-22-15-8-12(17(19,20)21)5-6-13(15)18/h3-8,22H,9H2,1-2H3,(H,23,24)
InChIKeyUQMHQCMOYUDGGB-UHFFFAOYSA-N
XLogP5.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.78
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900
N-(3-acetylphenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 109009852
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide
CID 22307669
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
CID 22307667

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide (CID 109007403) is 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CNc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is UQMHQCMOYUDGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c1-10-3-4-11(2)14(7-10)23-16(24)9-22-15-8-12(17(19,20)21)5-6-13(15)18/h3-8,22H,9H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide?
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 356.78 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 109007403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).