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

C17H15ClF3NO — CID 134798089

IUPAC2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H15ClF3NO/c1-22(16(23)10-12-4-3-7-15(18)9-12)11-13-5-2-6-14(8-13)17(19,20)21/h2-9H,10-11H2,1H3
InChIKeyAONUUTQEDWUCLP-UHFFFAOYSA-N
MW341.76 g/mol
LogP4.56
Rot. Bonds4

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

2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 134798089) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID134798089
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC Name2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H15ClF3NO/c1-22(16(23)10-12-4-3-7-15(18)9-12)11-13-5-2-6-14(8-13)17(19,20)21/h2-9H,10-11H2,1H3
InChIKeyAONUUTQEDWUCLP-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 15983441
N-(3-chlorobenzyl)-3-(trifluoromethyl)benzenecarboxamide
CID 1490150
3,5-Dichloro-N-(3-(trifluoromethyl)benzyl)benzenecarboxamide
CID 1490177
N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2679569
N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2681219
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3-chloro-4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-N-methylacetamide
CID 10100236
2''-Chloro-biphenyl-2-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 44408736
1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
CID 15754263
US11440922, Example 201
CID 153530220
N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2707304
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 44413099

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 134798089) is 2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is AONUUTQEDWUCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO/c1-22(16(23)10-12-4-3-7-15(18)9-12)11-13-5-2-6-14(8-13)17(19,20)21/h2-9H,10-11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 341.76 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 134798089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).