N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C17H15ClN4O3 — CID 22432347

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ncn(-c3ccccc3)n2)c(OC)cc1Cl
InChIInChI=1S/C17H15ClN4O3/c1-24-14-9-13(15(25-2)8-12(14)18)20-17(23)16-19-10-22(21-16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,23)
InChIKeyJOOLUNNUQCLIIH-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.19
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 22432347) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID22432347
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ncn(-c3ccccc3)n2)c(OC)cc1Cl
InChIInChI=1S/C17H15ClN4O3/c1-24-14-9-13(15(25-2)8-12(14)18)20-17(23)16-19-10-22(21-16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,23)
InChIKeyJOOLUNNUQCLIIH-UHFFFAOYSA-N
XLogP3.19
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990128
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(1-tetrazolyl)phenoxy]acetamide
CID 1139897
N-(5-chloro-2-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990132
N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2988655
N-(4-chloro-2,5-dimethoxyphenyl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1093890
N-(4-chloro-2,5-dimethoxyphenyl)-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetamide
CID 749664
N-(4-chloro-2,5-dimethoxyphenyl)-2-imidazol-1-ylacetamide
CID 41673830
N-(3-chloro-4-fluorophenyl)-4-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]piperazine-1-carboxamide
CID 70802810
N-(3-chloro-4-fluorophenyl)-2-[4-[2-fluoro-5-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-7-oxo-1,4-diazepan-1-yl]acetamide
CID 144116111
N-(3-chloro-4-fluorophenyl)-2-[4-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-7-oxo-1,4-diazepan-1-yl]acetamide
CID 144116510
1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 1486772
1-(2,4-dichloro-5-methoxyphenyl)-N-(2-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 1486773

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 22432347) is N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is COc1cc(NC(=O)c2ncn(-c3ccccc3)n2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JOOLUNNUQCLIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-14-9-13(15(25-2)8-12(14)18)20-17(23)16-19-10-22(21-16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 22432347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).