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

C23H19ClN4O2 — CID 50745548

IUPAC1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H19ClN4O2/c1-2-30-20-11-7-6-10-19(20)25-23(29)21-26-22(16-8-4-3-5-9-16)28(27-21)18-14-12-17(24)13-15-18/h3-15H,2H2,1H3,(H,25,29)
InChIKeyGQBNEWXKKJHUNJ-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.24
Rot. Bonds6

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

1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 50745548) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID50745548
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H19ClN4O2/c1-2-30-20-11-7-6-10-19(20)25-23(29)21-26-22(16-8-4-3-5-9-16)28(27-21)18-14-12-17(24)13-15-18/h3-15H,2H2,1H3,(H,25,29)
InChIKeyGQBNEWXKKJHUNJ-UHFFFAOYSA-N
XLogP5.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 17288753
N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745463
1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 1211362
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide
CID 46269866
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
1-(4-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 15944333
N-(2-ethoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650287
1-(4-chlorophenyl)-N,5-bis(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
CID 124786561
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 50745548) is 1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is CCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is GQBNEWXKKJHUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-2-30-20-11-7-6-10-19(20)25-23(29)21-26-22(16-8-4-3-5-9-16)28(27-21)18-14-12-17(24)13-15-18/h3-15H,2H2,1H3,(H,25,29).
What are the key properties of 1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 50745548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).