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

C17H17F3N2O — CID 2315099

IUPAC2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C17H17F3N2O/c1-22(11-13-6-3-2-4-7-13)12-16(23)21-15-9-5-8-14(10-15)17(18,19)20/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyVAJBWFNCXKTBTP-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.78
Rot. Bonds5

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

2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2315099) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2315099
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C17H17F3N2O/c1-22(11-13-6-3-2-4-7-13)12-16(23)21-15-9-5-8-14(10-15)17(18,19)20/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyVAJBWFNCXKTBTP-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698870
3-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 37212825
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18272443
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27036482
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
1-benzyl-1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3487348
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2315099) is 2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VAJBWFNCXKTBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-22(11-13-6-3-2-4-7-13)12-16(23)21-15-9-5-8-14(10-15)17(18,19)20/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of 2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 322.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2315099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).