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

C21H14ClFN4O — CID 16652313

IUPACN-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-n2nncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14ClFN4O/c22-16-5-9-18(10-6-16)25-21(28)15-3-11-19(12-4-15)27-20(13-24-26-27)14-1-7-17(23)8-2-14/h1-13H,(H,25,28)
InChIKeyUKNREPZOHKFFRH-UHFFFAOYSA-N
MW392.82 g/mol
LogP4.98
Rot. Bonds4

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

N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide (PubChem CID 16652313) has the molecular formula C21H14ClFN4O and a molecular weight of 392.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
PubChem CID16652313
Molecular FormulaC21H14ClFN4O
Molecular Weight392.82 g/mol
Exact Mass392.08
IUPAC NameN-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-n2nncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14ClFN4O/c22-16-5-9-18(10-6-16)25-21(28)15-3-11-19(12-4-15)27-20(13-24-26-27)14-1-7-17(23)8-2-14/h1-13H,(H,25,28)
InChIKeyUKNREPZOHKFFRH-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-methylphenyl)triazol-1-yl]benzamide
CID 16652238
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
CID 16652390
4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4172115
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
CID 16652359
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide
CID 16652383
4-[5-(4-chlorophenyl)triazol-1-yl]-N-prop-2-enylbenzamide
CID 16652430
N-[(2-chlorophenyl)methyl]-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652348
N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652236
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide (CID 16652313) is N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-n2nncc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
The InChIKey is UKNREPZOHKFFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O/c22-16-5-9-18(10-6-16)25-21(28)15-3-11-19(12-4-15)27-20(13-24-26-27)14-1-7-17(23)8-2-14/h1-13H,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]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 N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide is sourced from PubChem (CID 16652313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).