4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide

C23H17F4N5O — CID 166463215

IUPAC4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1cc(-c2c(C)cccc2F)ccc1C(=O)Nc1cnc(-n2nccn2)c(C(F)(F)F)c1
InChIInChI=1S/C23H17F4N5O/c1-13-4-3-5-19(24)20(13)15-6-7-17(14(2)10-15)22(33)31-16-11-18(23(25,26)27)21(28-12-16)32-29-8-9-30-32/h3-12H,1-2H3,(H,31,33)
InChIKeyGQZOHIYATCQNIM-UHFFFAOYSA-N
MW455.42 g/mol
LogP5.36
Rot. Bonds4

About 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide

4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 166463215) has the molecular formula C23H17F4N5O and a molecular weight of 455.42 g/mol. Its IUPAC name is 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID166463215
Molecular FormulaC23H17F4N5O
Molecular Weight455.42 g/mol
Exact Mass455.14
IUPAC Name4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1cc(-c2c(C)cccc2F)ccc1C(=O)Nc1cnc(-n2nccn2)c(C(F)(F)F)c1
InChIInChI=1S/C23H17F4N5O/c1-13-4-3-5-19(24)20(13)15-6-7-17(14(2)10-15)22(33)31-16-11-18(23(25,26)27)21(28-12-16)32-29-8-9-30-32/h3-12H,1-2H3,(H,31,33)
InChIKeyGQZOHIYATCQNIM-UHFFFAOYSA-N
XLogP5.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 167302284
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166462944
2-chloro-5-fluoro-4-(4-fluoro-2-iodophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463101
2-chloro-5-fluoro-4-(4-fluorophenyl)-5-methoxy-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]cyclohexa-1,3-diene-1-carboxamide
CID 175554042
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087
3-amino-4-[5-chloro-2-fluoro-4-[[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]-5-ethynylpyridine-2-carboxamide
CID 166462779
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[(E)-1-(3-fluoro-2-methylphenyl)prop-1-enyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 135169811
2-chloro-4-(3-ethynyl-5-fluoro-2-pyridinyl)-5-fluoro-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463032
4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide
CID 166463060
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-[3-(trimethyl-λ4-sulfanyl)phenyl]pyrazole-4-carboxamide
CID 153295787
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 166462993
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 166463215) is 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide is Cc1cc(-c2c(C)cccc2F)ccc1C(=O)Nc1cnc(-n2nccn2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is GQZOHIYATCQNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O/c1-13-4-3-5-19(24)20(13)15-6-7-17(14(2)10-15)22(33)31-16-11-18(23(25,26)27)21(28-12-16)32-29-8-9-30-32/h3-12H,1-2H3,(H,31,33).
What are the key properties of 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 455.42 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 166463215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).