4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide

C21H13Cl3N4O — CID 16652383

IUPAC4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H13Cl3N4O/c22-15-5-1-13(2-6-15)20-12-25-27-28(20)17-8-3-14(4-9-17)21(29)26-19-11-16(23)7-10-18(19)24/h1-12H,(H,26,29)
InChIKeyVIWKWUIXVFMSIF-UHFFFAOYSA-N
MW443.72 g/mol
LogP6.15
Rot. Bonds4

About 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide

4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide (PubChem CID 16652383) has the molecular formula C21H13Cl3N4O and a molecular weight of 443.72 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide
PubChem CID16652383
Molecular FormulaC21H13Cl3N4O
Molecular Weight443.72 g/mol
Exact Mass442.02
IUPAC Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H13Cl3N4O/c22-15-5-1-13(2-6-15)20-12-25-27-28(20)17-8-3-14(4-9-17)21(29)26-19-11-16(23)7-10-18(19)24/h1-12H,(H,26,29)
InChIKeyVIWKWUIXVFMSIF-UHFFFAOYSA-N
XLogP6.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.72
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652236
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-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-prop-2-enylbenzamide
CID 16652430
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide
CID 16652416
N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652343
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide (CID 16652383) is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide?
The InChIKey is VIWKWUIXVFMSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N4O/c22-15-5-1-13(2-6-15)20-12-25-27-28(20)17-8-3-14(4-9-17)21(29)26-19-11-16(23)7-10-18(19)24/h1-12H,(H,26,29).
What are the key properties of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide?
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide has a molecular weight of 443.72 g/mol, XLogP of 6.15, 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-(2,5-dichlorophenyl)benzamide is sourced from PubChem (CID 16652383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).