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

C14H11F3N2O — CID 174184894

IUPAC4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11F3N2O/c1-9-2-4-10(5-3-9)13(20)19-12-6-11(7-18-8-12)14(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyJAUVVUFZIBKIRS-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.66
Rot. Bonds2

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

4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 174184894) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID174184894
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11F3N2O/c1-9-2-4-10(5-3-9)13(20)19-12-6-11(7-18-8-12)14(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyJAUVVUFZIBKIRS-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
4-hydrazinyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586745
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 134118758
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
CID 174709439
4-methyl-3-[(3S)-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176066

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 174184894) is 4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is JAUVVUFZIBKIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-9-2-4-10(5-3-9)13(20)19-12-6-11(7-18-8-12)14(15,16)17/h2-8H,1H3,(H,19,20).
What are the key properties of 4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 280.25 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 174184894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).