2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide

C14H10F4N2O — CID 142795798

IUPAC2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(-c2cc(C(F)(F)F)ncc2F)c1
InChIInChI=1S/C14H10F4N2O/c1-7-2-3-8(13(19)21)9(4-7)10-5-12(14(16,17)18)20-6-11(10)15/h2-6H,1H3,(H2,19,21)
InChIKeyAONHHIJKGMYZFV-UHFFFAOYSA-N
MW298.24 g/mol
LogP3.31
Rot. Bonds2

About 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide

2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide (PubChem CID 142795798) has the molecular formula C14H10F4N2O and a molecular weight of 298.24 g/mol. Its IUPAC name is 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide
PubChem CID142795798
Molecular FormulaC14H10F4N2O
Molecular Weight298.24 g/mol
Exact Mass298.07
IUPAC Name2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(-c2cc(C(F)(F)F)ncc2F)c1
InChIInChI=1S/C14H10F4N2O/c1-7-2-3-8(13(19)21)9(4-7)10-5-12(14(16,17)18)20-6-11(10)15/h2-6H,1H3,(H2,19,21)
InChIKeyAONHHIJKGMYZFV-UHFFFAOYSA-N
XLogP3.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Losmapimod
CID 11552706
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
CID 146909371
N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-oxo-5-p-tolyl-7,8-dihydro-1,7-naphthyridine-6-carboxamide
CID 9871754
N'-[1-(2-pyridinyl)ethylidene]-1-naphthohydrazide
CID 9618012
4-Methyl-N-4-pyridinylbenzamide
CID 84517
2-Ethylisonicotinamide
CID 76905
N-[4-(N-[2-[2,4-bis(trifluoromethyl)phenyl]acetyl]anilino)but-2-ynyl]pyridine-3-carboxamide
CID 168271607
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612
N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide
CID 11472986
N-methyl-5-(2-(2-methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)ethynyl)picolinamide
CID 11669282
2-Amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzamide
CID 16048303

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide?
The IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide (CID 142795798) is 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide?
The canonical SMILES for 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide is Cc1ccc(C(N)=O)c(-c2cc(C(F)(F)F)ncc2F)c1.
What is the InChIKey of 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide?
The InChIKey is AONHHIJKGMYZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O/c1-7-2-3-8(13(19)21)9(4-7)10-5-12(14(16,17)18)20-6-11(10)15/h2-6H,1H3,(H2,19,21).
What are the key properties of 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide?
2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide has a molecular weight of 298.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 142795798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).