1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide

C19H19ClN4O — CID 16649119

IUPAC1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(-c2cc(C)ccc2Cl)c1C
InChIInChI=1S/C19H19ClN4O/c1-4-14-7-5-6-8-16(14)21-19(25)18-13(3)24(23-22-18)17-11-12(2)9-10-15(17)20/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeyAXRQWYCNXOGOOP-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide

1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 16649119) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID16649119
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(-c2cc(C)ccc2Cl)c1C
InChIInChI=1S/C19H19ClN4O/c1-4-14-7-5-6-8-16(14)21-19(25)18-13(3)24(23-22-18)17-11-12(2)9-10-15(17)20/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeyAXRQWYCNXOGOOP-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 9152359
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
N-(5-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 2141051
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
1-(3-bromophenyl)-N-(2-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 60527351
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7184617
N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516245
ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671062
methyl 2-[[1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 9152403
1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
CID 56825593

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide (CID 16649119) is 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide is CCc1ccccc1NC(=O)c1nnn(-c2cc(C)ccc2Cl)c1C.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is AXRQWYCNXOGOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-4-14-7-5-6-8-16(14)21-19(25)18-13(3)24(23-22-18)17-11-12(2)9-10-15(17)20/h5-11H,4H2,1-3H3,(H,21,25).
What are the key properties of 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide?
1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 16649119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).