4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide

C24H21ClN4O — CID 16652420

IUPAC4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O/c1-3-17-6-4-5-16(2)23(17)27-24(30)19-9-13-21(14-10-19)29-22(15-26-28-29)18-7-11-20(25)12-8-18/h4-15H,3H2,1-2H3,(H,27,30)
InChIKeyRQIFJNUROJSEGT-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.71
Rot. Bonds5

About 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide

4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide (PubChem CID 16652420) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
PubChem CID16652420
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O/c1-3-17-6-4-5-16(2)23(17)27-24(30)19-9-13-21(14-10-19)29-22(15-26-28-29)18-7-11-20(25)12-8-18/h4-15H,3H2,1-2H3,(H,27,30)
InChIKeyRQIFJNUROJSEGT-UHFFFAOYSA-N
XLogP5.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652280
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-(2,5-dichlorophenyl)benzamide
CID 16652383
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-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide
CID 60527227
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
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-(2-ethyl-6-methylphenyl)benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide (CID 16652420) is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide is CCc1cccc(C)c1NC(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide?
The InChIKey is RQIFJNUROJSEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-3-17-6-4-5-16(2)23(17)27-24(30)19-9-13-21(14-10-19)29-22(15-26-28-29)18-7-11-20(25)12-8-18/h4-15H,3H2,1-2H3,(H,27,30).
What are the key properties of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide?
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide has a molecular weight of 416.91 g/mol, XLogP of 5.71, 5 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-ethyl-6-methylphenyl)benzamide is sourced from PubChem (CID 16652420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).