1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide

C19H19ClN4O — CID 16649250

IUPAC1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2Cl)c1C
InChIInChI=1S/C19H19ClN4O/c1-4-14-9-7-8-12(2)17(14)21-19(25)18-13(3)24(23-22-18)16-11-6-5-10-15(16)20/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeyNGCMKRCDKFXFBM-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide

1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 16649250) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID16649250
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2Cl)c1C
InChIInChI=1S/C19H19ClN4O/c1-4-14-9-7-8-12(2)17(14)21-19(25)18-13(3)24(23-22-18)16-11-6-5-10-15(16)20/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeyNGCMKRCDKFXFBM-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

N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 127046482
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649287
1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 16649119
1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
CID 6493785
5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015813
1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671062
1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
CID 56825593
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-(2-chlorophenyl)-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
CID 86888977
N-(3-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516202
2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
CID 3053676

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide (CID 16649250) is 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide is CCc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2Cl)c1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is NGCMKRCDKFXFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-4-14-9-7-8-12(2)17(14)21-19(25)18-13(3)24(23-22-18)16-11-6-5-10-15(16)20/h5-11H,4H2,1-3H3,(H,21,25).
What are the key properties of 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide?
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-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-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 16649250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).