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

C14H11F3N2O — CID 62815712

IUPAC4-[(2,4,5-trifluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H11F3N2O/c15-10-5-12(17)13(6-11(10)16)19-7-8-1-3-9(4-2-8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyRPLLMSBYJIGMCP-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.81
Rot. Bonds4

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

4-[(2,4,5-trifluoroanilino)methyl]benzamide (PubChem CID 62815712) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-[(2,4,5-trifluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,4,5-trifluoroanilino)methyl]benzamide
PubChem CID62815712
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name4-[(2,4,5-trifluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H11F3N2O/c15-10-5-12(17)13(6-11(10)16)19-7-8-1-3-9(4-2-8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyRPLLMSBYJIGMCP-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_1', 'substructure': 'N/A'}

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Related Compounds

4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025
4-[(2-cyano-3-fluoroanilino)methyl]benzamide
CID 43399540
N-[(4-bromophenyl)methyl]-2,4,5-trifluoroaniline
CID 62815003
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62760275

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,5-trifluoroanilino)methyl]benzamide?
The IUPAC name of 4-[(2,4,5-trifluoroanilino)methyl]benzamide (CID 62815712) is 4-[(2,4,5-trifluoroanilino)methyl]benzamide.
What is the SMILES notation for 4-[(2,4,5-trifluoroanilino)methyl]benzamide?
The canonical SMILES for 4-[(2,4,5-trifluoroanilino)methyl]benzamide is NC(=O)c1ccc(CNc2cc(F)c(F)cc2F)cc1.
What is the InChIKey of 4-[(2,4,5-trifluoroanilino)methyl]benzamide?
The InChIKey is RPLLMSBYJIGMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-10-5-12(17)13(6-11(10)16)19-7-8-1-3-9(4-2-8)14(18)20/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 4-[(2,4,5-trifluoroanilino)methyl]benzamide?
4-[(2,4,5-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 4-[(2,4,5-trifluoroanilino)methyl]benzamide is sourced from PubChem (CID 62815712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).