2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide

C15H13F3N2O — CID 79755148

IUPAC2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13F3N2O/c1-19-8-9-4-2-3-5-12(9)20-15(21)10-6-7-11(16)14(18)13(10)17/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyFQGSYIHHBHRMRW-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.08
Rot. Bonds4

About 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide

2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide (PubChem CID 79755148) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide
PubChem CID79755148
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13F3N2O/c1-19-8-9-4-2-3-5-12(9)20-15(21)10-6-7-11(16)14(18)13(10)17/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyFQGSYIHHBHRMRW-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 79749595
2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 107677077
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
[3-[[2-[[(2,3,4-trifluorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928766
ethyl [4-[[2-[[(2,3,4-trifluorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931697
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600896
2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601063

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide (CID 79755148) is 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide is CNCc1ccccc1NC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide?
The InChIKey is FQGSYIHHBHRMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-19-8-9-4-2-3-5-12(9)20-15(21)10-6-7-11(16)14(18)13(10)17/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide?
2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 79755148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).