3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide

C15H13F3N2O — CID 63186754

IUPAC3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C15H13F3N2O/c1-19-8-9-3-2-4-11(5-9)20-15(21)10-6-12(16)14(18)13(17)7-10/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyKCMCEAQOWYRXPL-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.08
Rot. Bonds4

About 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide

3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide (PubChem CID 63186754) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
PubChem CID63186754
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C15H13F3N2O/c1-19-8-9-3-2-4-11(5-9)20-15(21)10-6-12(16)14(18)13(17)7-10/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyKCMCEAQOWYRXPL-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

2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
CID 115736760
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601854
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602491
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide (CID 63186754) is 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide is CNCc1cccc(NC(=O)c2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide?
The InChIKey is KCMCEAQOWYRXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-19-8-9-3-2-4-11(5-9)20-15(21)10-6-12(16)14(18)13(17)7-10/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide?
3,4,5-trifluoro-N-[3-(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 3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 63186754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).