2-[(3,4,5-trifluoroanilino)methyl]benzamide

C14H11F3N2O — CID 62809921

IUPAC2-[(3,4,5-trifluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11F3N2O/c15-11-5-9(6-12(16)13(11)17)19-7-8-3-1-2-4-10(8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyKKXPGMBQBSPGTM-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.81
Rot. Bonds4

About 2-[(3,4,5-trifluoroanilino)methyl]benzamide

2-[(3,4,5-trifluoroanilino)methyl]benzamide (PubChem CID 62809921) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[(3,4,5-trifluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name2-[(3,4,5-trifluoroanilino)methyl]benzamide
PubChem CID62809921
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-[(3,4,5-trifluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11F3N2O/c15-11-5-9(6-12(16)13(11)17)19-7-8-3-1-2-4-10(8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyKKXPGMBQBSPGTM-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.81
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-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 55118736
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide
CID 43347758
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
2-[[3-(dimethylamino)anilino]methyl]benzamide
CID 115377923
3,4,5-trifluoro-N-[(2-nitrophenyl)methyl]aniline
CID 62811341
2-[(2,4,6-tribromoanilino)methyl]benzamide
CID 28992052
2-[(4-butylanilino)methyl]benzamide
CID 43378453
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide
CID 79968726
2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide
CID 28596653

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trifluoroanilino)methyl]benzamide?
The IUPAC name of 2-[(3,4,5-trifluoroanilino)methyl]benzamide (CID 62809921) is 2-[(3,4,5-trifluoroanilino)methyl]benzamide.
What is the SMILES notation for 2-[(3,4,5-trifluoroanilino)methyl]benzamide?
The canonical SMILES for 2-[(3,4,5-trifluoroanilino)methyl]benzamide is NC(=O)c1ccccc1CNc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-[(3,4,5-trifluoroanilino)methyl]benzamide?
The InChIKey is KKXPGMBQBSPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-11-5-9(6-12(16)13(11)17)19-7-8-3-1-2-4-10(8)14(18)20/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 2-[(3,4,5-trifluoroanilino)methyl]benzamide?
2-[(3,4,5-trifluoroanilino)methyl]benzamide has a molecular weight of 280.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trifluoroanilino)methyl]benzamide is sourced from PubChem (CID 62809921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).