4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide

C21H14ClFN4O — CID 16652390

IUPAC4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14ClFN4O/c22-16-8-4-14(5-9-16)20-13-24-26-27(20)19-10-6-15(7-11-19)21(28)25-18-3-1-2-17(23)12-18/h1-13H,(H,25,28)
InChIKeyCINXORXYSXNCSQ-UHFFFAOYSA-N
MW392.82 g/mol
LogP4.98
Rot. Bonds4

About 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide

4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide (PubChem CID 16652390) has the molecular formula C21H14ClFN4O and a molecular weight of 392.82 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
PubChem CID16652390
Molecular FormulaC21H14ClFN4O
Molecular Weight392.82 g/mol
Exact Mass392.08
IUPAC Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14ClFN4O/c22-16-8-4-14(5-9-16)20-13-24-26-27(20)19-10-6-15(7-11-19)21(28)25-18-3-1-2-17(23)12-18/h1-13H,(H,25,28)
InChIKeyCINXORXYSXNCSQ-UHFFFAOYSA-N
XLogP4.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652313
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide
CID 16652383
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4172115
N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652236
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide
CID 16652416
4-[5-(4-chlorophenyl)triazol-1-yl]-N-prop-2-enylbenzamide
CID 16652430
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
N-[(2-chlorophenyl)methyl]-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652348

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide (CID 16652390) is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide?
The InChIKey is CINXORXYSXNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O/c22-16-8-4-14(5-9-16)20-13-24-26-27(20)19-10-6-15(7-11-19)21(28)25-18-3-1-2-17(23)12-18/h1-13H,(H,25,28).
What are the key properties of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide?
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide has a molecular weight of 392.82 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 16652390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).