2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide

C16H13ClF3NO — CID 18290212

IUPAC2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-10-6-7-12(9-13(10)16(18,19)20)21-15(22)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeyJYQKBMRWJFPDEY-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.85
Rot. Bonds3

About 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide

2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 18290212) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID18290212
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-10-6-7-12(9-13(10)16(18,19)20)21-15(22)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeyJYQKBMRWJFPDEY-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 60541350
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626
4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876
N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
CID 108946594
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286490

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (CID 18290212) is 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1C(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JYQKBMRWJFPDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-10-6-7-12(9-13(10)16(18,19)20)21-15(22)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3,(H,21,22).
What are the key properties of 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 327.73 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18290212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).