methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate

C23H18N4O3 — CID 1211357

IUPACmethyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N4O3/c1-30-23(29)18-14-8-9-15-19(18)24-22(28)20-25-21(16-10-4-2-5-11-16)27(26-20)17-12-6-3-7-13-17/h2-15H,1H3,(H,24,28)
InChIKeyQMWRZBLIRKKWLH-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.97
Rot. Bonds5

About methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate

methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate (PubChem CID 1211357) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
PubChem CID1211357
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Namemethyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N4O3/c1-30-23(29)18-14-8-9-15-19(18)24-22(28)20-25-21(16-10-4-2-5-11-16)27(26-20)17-12-6-3-7-13-17/h2-15H,1H3,(H,24,28)
InChIKeyQMWRZBLIRKKWLH-UHFFFAOYSA-N
XLogP3.97
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 55812009
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745463
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 50745535
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
N-(5-fluoro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799414
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N-(5-carbamoyl-2-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55783247
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate (CID 1211357) is methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate?
The InChIKey is QMWRZBLIRKKWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-30-23(29)18-14-8-9-15-19(18)24-22(28)20-25-21(16-10-4-2-5-11-16)27(26-20)17-12-6-3-7-13-17/h2-15H,1H3,(H,24,28).
What are the key properties of methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate?
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate has a molecular weight of 398.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 1211357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).