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

C21H15ClN4O — CID 16652373

IUPAC4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClN4O/c22-17-10-6-15(7-11-17)20-14-23-25-26(20)19-12-8-16(9-13-19)21(27)24-18-4-2-1-3-5-18/h1-14H,(H,24,27)
InChIKeyBPIAHSPUBUXPSZ-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.84
Rot. Bonds4

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

4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide (PubChem CID 16652373) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
PubChem CID16652373
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClN4O/c22-17-10-6-15(7-11-17)20-14-23-25-26(20)19-12-8-16(9-13-19)21(27)24-18-4-2-1-3-5-18/h1-14H,(H,24,27)
InChIKeyBPIAHSPUBUXPSZ-UHFFFAOYSA-N
XLogP4.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.84
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
N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652313
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
CID 16652390
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide
CID 16652416
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
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4607440
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652236
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
N-[4-(5-phenyltriazol-1-yl)phenyl]furan-2-carboxamide
CID 5184795

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide (CID 16652373) is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide?
The InChIKey is BPIAHSPUBUXPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-17-10-6-15(7-11-17)20-14-23-25-26(20)19-12-8-16(9-13-19)21(27)24-18-4-2-1-3-5-18/h1-14H,(H,24,27).
What are the key properties of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide?
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide has a molecular weight of 374.83 g/mol, XLogP of 4.84, 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-phenylbenzamide is sourced from PubChem (CID 16652373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).