N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide

C19H19ClN4O — CID 55854326

IUPACN-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)N(C)Cc3ccccc3Cl)c2C)c1
InChIInChI=1S/C19H19ClN4O/c1-13-7-6-9-16(11-13)24-14(2)18(21-22-24)19(25)23(3)12-15-8-4-5-10-17(15)20/h4-11H,12H2,1-3H3
InChIKeySSRRPXJJIMKQJN-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.81
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 55854326) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID55854326
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)N(C)Cc3ccccc3Cl)c2C)c1
InChIInChI=1S/C19H19ClN4O/c1-13-7-6-9-16(11-13)24-14(2)18(21-22-24)19(25)23(3)12-15-8-4-5-10-17(15)20/h4-11H,12H2,1-3H3
InChIKeySSRRPXJJIMKQJN-UHFFFAOYSA-N
XLogP3.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(2-hydroxyethyl)-N,5-dimethyltriazole-4-carboxamide
CID 110900004
1-(3-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-N,5-dimethyltriazole-4-carboxamide
CID 55957403
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874297
N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 32762554
1-(3-chloro-4-methylphenyl)-N-[(2-chlorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858117
5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 55857322
5-chloro-1-(3-methylphenyl)triazole-4-carboxylic acid
CID 84700386
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide
CID 55650122
1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045
N-(3-amino-2,2-dimethylpropyl)-1-(3-chloro-4-fluorophenyl)-N,5-dimethyltriazole-4-carboxamide
CID 119656440
N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965
5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
CID 55881868

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide (CID 55854326) is N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)N(C)Cc3ccccc3Cl)c2C)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is SSRRPXJJIMKQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-13-7-6-9-16(11-13)24-14(2)18(21-22-24)19(25)23(3)12-15-8-4-5-10-17(15)20/h4-11H,12H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55854326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).