3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C13H15F3N2O — CID 106218202

IUPAC3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCNc1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1C
InChIInChI=1S/C13H15F3N2O/c1-8-7-9(3-4-10(8)17-2)11(19)18-12(5-6-12)13(14,15)16/h3-4,7,17H,5-6H2,1-2H3,(H,18,19)
InChIKeySPNHRRQJQZXORS-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.86
Rot. Bonds3

About 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide

3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106218202) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106218202
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCNc1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1C
InChIInChI=1S/C13H15F3N2O/c1-8-7-9(3-4-10(8)17-2)11(19)18-12(5-6-12)13(14,15)16/h3-4,7,17H,5-6H2,1-2H3,(H,18,19)
InChIKeySPNHRRQJQZXORS-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159047
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
N-(3,3-dimethylcyclopentyl)-3-methyl-4-(methylamino)benzamide
CID 114540797
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 114101897
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-methyl-4-(methylamino)benzamide
CID 106280162
N-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(methylamino)benzamide
CID 107856256
2-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroindole-6-carboxamide
CID 102969369
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210412

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106218202) is 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide is CNc1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1C.
What is the InChIKey of 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is SPNHRRQJQZXORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-8-7-9(3-4-10(8)17-2)11(19)18-12(5-6-12)13(14,15)16/h3-4,7,17H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 272.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106218202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).