N-methyl-4-(2,2,2-trifluoroethylamino)benzamide

C10H11F3N2O — CID 59156701

IUPACN-methyl-4-(2,2,2-trifluoroethylamino)benzamide
SMILESCNC(=O)c1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c1-14-9(16)7-2-4-8(5-3-7)15-6-10(11,12)13/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyPDRARORHSTXLNJ-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-4-(2,2,2-trifluoroethylamino)benzamide

N-methyl-4-(2,2,2-trifluoroethylamino)benzamide (PubChem CID 59156701) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is N-methyl-4-(2,2,2-trifluoroethylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-(2,2,2-trifluoroethylamino)benzamide
PubChem CID59156701
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC NameN-methyl-4-(2,2,2-trifluoroethylamino)benzamide
SMILESCNC(=O)c1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c1-14-9(16)7-2-4-8(5-3-7)15-6-10(11,12)13/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyPDRARORHSTXLNJ-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide
CID 107444938
3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156732
tert-butyl N-[3-[4-(methylcarbamoyl)anilino]propyl]carbamate
CID 103821711
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide
CID 174740416
4-hydrazinyl-N-methylbenzamide
CID 20649402
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 99792432
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
CID 81414423
N-methyl-4-[(2,3,4-trihydroxyphenyl)methylamino]benzamide
CID 107730574

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,2,2-trifluoroethylamino)benzamide?
The IUPAC name of N-methyl-4-(2,2,2-trifluoroethylamino)benzamide (CID 59156701) is N-methyl-4-(2,2,2-trifluoroethylamino)benzamide.
What is the SMILES notation for N-methyl-4-(2,2,2-trifluoroethylamino)benzamide?
The canonical SMILES for N-methyl-4-(2,2,2-trifluoroethylamino)benzamide is CNC(=O)c1ccc(NCC(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-(2,2,2-trifluoroethylamino)benzamide?
The InChIKey is PDRARORHSTXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-14-9(16)7-2-4-8(5-3-7)15-6-10(11,12)13/h2-5,15H,6H2,1H3,(H,14,16).
What are the key properties of N-methyl-4-(2,2,2-trifluoroethylamino)benzamide?
N-methyl-4-(2,2,2-trifluoroethylamino)benzamide has a molecular weight of 232.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,2,2-trifluoroethylamino)benzamide is sourced from PubChem (CID 59156701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).