3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C14H11F3N2O — CID 114699471

IUPAC3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11F3N2O/c1-8-6-18-3-2-9(8)7-19-14(20)10-4-11(15)13(17)12(16)5-10/h2-6H,7H2,1H3,(H,19,20)
InChIKeyPNKXQWLUCYHXOU-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.74
Rot. Bonds3

About 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide

3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 114699471) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID114699471
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11F3N2O/c1-8-6-18-3-2-9(8)7-19-14(20)10-4-11(15)13(17)12(16)5-10/h2-6H,7H2,1H3,(H,19,20)
InChIKeyPNKXQWLUCYHXOU-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701806
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 166012096
4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957562
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 114699471) is 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CNC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is PNKXQWLUCYHXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-8-6-18-3-2-9(8)7-19-14(20)10-4-11(15)13(17)12(16)5-10/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 280.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114699471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).