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

C23H19ClN4O3 — CID 50745403

IUPAC1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(OC)c3)nn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-30-19-11-9-15(10-12-19)22-26-21(27-28(22)18-7-3-5-16(24)13-18)23(29)25-17-6-4-8-20(14-17)31-2/h3-14H,1-2H3,(H,25,29)
InChIKeyQLOJMXXOJDHTON-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.86
Rot. Bonds6

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

1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 50745403) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID50745403
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(OC)c3)nn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-30-19-11-9-15(10-12-19)22-26-21(27-28(22)18-7-3-5-16(24)13-18)23(29)25-17-6-4-8-20(14-17)31-2/h3-14H,1-2H3,(H,25,29)
InChIKeyQLOJMXXOJDHTON-UHFFFAOYSA-N
XLogP4.86
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 50745535
4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 42810002
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24664619
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 34778567
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide (CID 50745403) is 1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cccc(OC)c3)nn2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is QLOJMXXOJDHTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-30-19-11-9-15(10-12-19)22-26-21(27-28(22)18-7-3-5-16(24)13-18)23(29)25-17-6-4-8-20(14-17)31-2/h3-14H,1-2H3,(H,25,29).
What are the key properties of 1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 50745403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).