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

C23H19ClN4O2 — CID 50745535

IUPACN-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-15-19(24)9-6-10-20(15)25-23(29)21-26-22(16-11-13-18(30-2)14-12-16)28(27-21)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,25,29)
InChIKeyNUZKUPMTWQYRIR-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.16
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 50745535) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID50745535
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-15-19(24)9-6-10-20(15)25-23(29)21-26-22(16-11-13-18(30-2)14-12-16)28(27-21)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,25,29)
InChIKeyNUZKUPMTWQYRIR-UHFFFAOYSA-N
XLogP5.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745463
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100872
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 50745403
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7915082
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 50745535) is N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is NUZKUPMTWQYRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-15-19(24)9-6-10-20(15)25-23(29)21-26-22(16-11-13-18(30-2)14-12-16)28(27-21)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,25,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 50745535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).