1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

C23H19ClN4O — CID 50745606

IUPAC1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C23H19ClN4O/c1-2-16-12-14-18(15-13-16)25-23(29)21-26-22(17-8-4-3-5-9-17)28(27-21)20-11-7-6-10-19(20)24/h3-15H,2H2,1H3,(H,25,29)
InChIKeySNCOYSZSGNVHMD-UHFFFAOYSA-N
MW402.89 g/mol
LogP5.40
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 50745606) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID50745606
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C23H19ClN4O/c1-2-16-12-14-18(15-13-16)25-23(29)21-26-22(17-8-4-3-5-9-17)28(27-21)20-11-7-6-10-19(20)24/h3-15H,2H2,1H3,(H,25,29)
InChIKeySNCOYSZSGNVHMD-UHFFFAOYSA-N
XLogP5.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
ethyl 1-(2-chlorophenyl)-4-[2-(4-ethylanilino)-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
CID 18579764
N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745463
methyl 2-[3-[[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]phenyl]acetate
CID 99580417
1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 86867791
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
1-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927974
1-(2-chlorophenyl)-5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 51099047
N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103627

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 50745606) is 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is SNCOYSZSGNVHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-2-16-12-14-18(15-13-16)25-23(29)21-26-22(17-8-4-3-5-9-17)28(27-21)20-11-7-6-10-19(20)24/h3-15H,2H2,1H3,(H,25,29).
What are the key properties of 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 402.89 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 50745606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).