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

C22H17ClN4O — CID 50745463

IUPACN-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H17ClN4O/c1-15-18(23)13-8-14-19(15)24-22(28)20-25-21(16-9-4-2-5-10-16)27(26-20)17-11-6-3-7-12-17/h2-14H,1H3,(H,24,28)
InChIKeyYIFFNYSFPCRBNG-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.15
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 50745463) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID50745463
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC NameN-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H17ClN4O/c1-15-18(23)13-8-14-19(15)24-22(28)20-25-21(16-9-4-2-5-10-16)27(26-20)17-11-6-3-7-12-17/h2-14H,1H3,(H,24,28)
InChIKeyYIFFNYSFPCRBNG-UHFFFAOYSA-N
XLogP5.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 50745535
N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7915082
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N-(5-fluoro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799414
1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745548
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588
[2-(2,3-dichloroanilino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 4801442
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 50745463) is N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is YIFFNYSFPCRBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c1-15-18(23)13-8-14-19(15)24-22(28)20-25-21(16-9-4-2-5-10-16)27(26-20)17-11-6-3-7-12-17/h2-14H,1H3,(H,24,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 50745463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).