2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide

C21H11Cl2F4N5O — CID 166462944

IUPAC2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1cnc(-n2nccn2)c(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2Cl)cc1Cl
InChIInChI=1S/C21H11Cl2F4N5O/c22-17-7-11(14-4-2-12(24)8-18(14)23)1-3-15(17)20(33)31-13-9-16(21(25,26)27)19(28-10-13)32-29-5-6-30-32/h1-10H,(H,31,33)
InChIKeyFHSKDXIBFIHCIW-UHFFFAOYSA-N
MW496.25 g/mol
LogP6.05
Rot. Bonds4

About 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide

2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 166462944) has the molecular formula C21H11Cl2F4N5O and a molecular weight of 496.25 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID166462944
Molecular FormulaC21H11Cl2F4N5O
Molecular Weight496.25 g/mol
Exact Mass495.03
IUPAC Name2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1cnc(-n2nccn2)c(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2Cl)cc1Cl
InChIInChI=1S/C21H11Cl2F4N5O/c22-17-7-11(14-4-2-12(24)8-18(14)23)1-3-15(17)20(33)31-13-9-16(21(25,26)27)19(28-10-13)32-29-5-6-30-32/h1-10H,(H,31,33)
InChIKeyFHSKDXIBFIHCIW-UHFFFAOYSA-N
XLogP6.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.25
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(2-chloro-4-fluorophenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 166462993
2-chloro-5-fluoro-4-(4-fluoro-2-iodophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463101
2-chloro-4-(3-ethynyl-5-fluoro-2-pyridinyl)-5-fluoro-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463032
4-(2-fluoro-6-methylphenyl)-2-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463215
2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 167302284
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
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-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516
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
5-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-4-[4-fluoro-2-(methylamino)phenyl]benzamide
CID 166462855
[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid
CID 175833527
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-4-[2-(cyclopropylamino)-4-fluorophenyl]-5-fluorobenzamide
CID 166463000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 166462944) is 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide is O=C(Nc1cnc(-n2nccn2)c(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is FHSKDXIBFIHCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F4N5O/c22-17-7-11(14-4-2-12(24)8-18(14)23)1-3-15(17)20(33)31-13-9-16(21(25,26)27)19(28-10-13)32-29-5-6-30-32/h1-10H,(H,31,33).
What are the key properties of 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 496.25 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 166462944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).