2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

C17H15F3N2O2 — CID 2236832

IUPAC2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c1-11-6-2-3-7-12(11)16(24)21-10-15(23)22-14-9-5-4-8-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyGGGKYDLPBDMVTQ-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 2236832) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID2236832
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c1-11-6-2-3-7-12(11)16(24)21-10-15(23)22-14-9-5-4-8-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyGGGKYDLPBDMVTQ-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 18105664
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 121091888
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
tert-butyl N-[2-oxo-2-[2-[[[2-(trifluoromethyl)benzoyl]amino]methyl]anilino]ethyl]carbamate
CID 108918057
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112997518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (CID 2236832) is 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is GGGKYDLPBDMVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11-6-2-3-7-12(11)16(24)21-10-15(23)22-14-9-5-4-8-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 336.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 2236832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).