1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide

C19H19ClN4O — CID 16652084

IUPAC1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C(C)C
InChIInChI=1S/C19H19ClN4O/c1-12(2)18-17(19(25)21-16-7-5-4-6-13(16)3)22-23-24(18)15-10-8-14(20)9-11-15/h4-12H,1-3H3,(H,21,25)
InChIKeyHDZRSOODPQDIKY-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.60
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide

1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide (PubChem CID 16652084) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide
PubChem CID16652084
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C(C)C
InChIInChI=1S/C19H19ClN4O/c1-12(2)18-17(19(25)21-16-7-5-4-6-13(16)3)22-23-24(18)15-10-8-14(20)9-11-15/h4-12H,1-3H3,(H,21,25)
InChIKeyHDZRSOODPQDIKY-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16652149
4-[[1-(4-chlorophenyl)-5-propan-2-yltriazole-4-carbonyl]amino]benzoic acid
CID 16652113
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139
N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7245475
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27261131
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
CID 4584339
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 7184539
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
1-(4-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6484763

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide (CID 16652084) is 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide is Cc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide?
The InChIKey is HDZRSOODPQDIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-12(2)18-17(19(25)21-16-7-5-4-6-13(16)3)22-23-24(18)15-10-8-14(20)9-11-15/h4-12H,1-3H3,(H,21,25).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide?
1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 16652084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).