N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide

C18H17ClN4O2 — CID 13413922

IUPACN-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(C)cc1-n1cc(C(=O)NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H17ClN4O2/c1-12-3-8-17(25-2)16(9-12)23-11-15(21-22-23)18(24)20-10-13-4-6-14(19)7-5-13/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeySJJKCGVLFNHMON-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.17
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide (PubChem CID 13413922) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
PubChem CID13413922
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(C)cc1-n1cc(C(=O)NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H17ClN4O2/c1-12-3-8-17(25-2)16(9-12)23-11-15(21-22-23)18(24)20-10-13-4-6-14(19)7-5-13/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeySJJKCGVLFNHMON-UHFFFAOYSA-N
XLogP3.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332630
1-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 25458811
1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 53332669
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 39089231
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48692037
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46857970
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48650473
N-[(3,4-dimethoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42536396

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide (CID 13413922) is N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide is COc1ccc(C)cc1-n1cc(C(=O)NCc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide?
The InChIKey is SJJKCGVLFNHMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-3-8-17(25-2)16(9-12)23-11-15(21-22-23)18(24)20-10-13-4-6-14(19)7-5-13/h3-9,11H,10H2,1-2H3,(H,20,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 13413922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).