2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C12H13F3N2O2 — CID 18105664

IUPAC2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-8-4-2-3-5-9(8)11(19)16-6-10(18)17-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyVQQRCADTQDBPPC-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.40
Rot. Bonds4

About 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 18105664) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID18105664
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-8-4-2-3-5-9(8)11(19)16-6-10(18)17-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyVQQRCADTQDBPPC-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2236832
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
4-[(E)-hydroxyiminomethyl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 170943873
2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2-methylbenzamide
CID 51165739
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 2681293
N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 46433649
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 18105664) is 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is VQQRCADTQDBPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-8-4-2-3-5-9(8)11(19)16-6-10(18)17-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 274.24 g/mol, XLogP of 1.40, 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-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 18105664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).