2-(methylaminomethyl)-3-(trifluoromethyl)benzamide

C10H11F3N2O — CID 144717479

IUPAC2-(methylaminomethyl)-3-(trifluoromethyl)benzamide
SMILESCNCc1c(C(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-15-5-7-6(9(14)16)3-2-4-8(7)10(11,12)13/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeyOSHJWPVZZSZYRI-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.52
Rot. Bonds3

About 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide

2-(methylaminomethyl)-3-(trifluoromethyl)benzamide (PubChem CID 144717479) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-3-(trifluoromethyl)benzamide
PubChem CID144717479
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-(methylaminomethyl)-3-(trifluoromethyl)benzamide
SMILESCNCc1c(C(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-15-5-7-6(9(14)16)3-2-4-8(7)10(11,12)13/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeyOSHJWPVZZSZYRI-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-carboxylato-6-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzoate
CID 157266168
1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82678213
2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide
CID 70608847
2-hydroxy-3-(trifluoromethyl)benzamide;hydrochloride
CID 141021225
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide
CID 135203299
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 69461429
2-[3-chloro-2-(methylaminomethyl)phenoxy]benzamide
CID 43282446
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea
CID 155260598
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 68649813

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide (CID 144717479) is 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide is CNCc1c(C(N)=O)cccc1C(F)(F)F.
What is the InChIKey of 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is OSHJWPVZZSZYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-15-5-7-6(9(14)16)3-2-4-8(7)10(11,12)13/h2-4,15H,5H2,1H3,(H2,14,16).
What are the key properties of 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide?
2-(methylaminomethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 232.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 144717479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).