2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide

C18H17ClN4O2 — CID 9404832

IUPAC2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nn(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C18H17ClN4O2/c1-12-17(22-23(21-12)15-8-5-7-14(19)10-15)18(24)20-11-13-6-3-4-9-16(13)25-2/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyUIYZXZHBKLZHDU-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.17
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide

2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide (PubChem CID 9404832) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
PubChem CID9404832
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nn(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C18H17ClN4O2/c1-12-17(22-23(21-12)15-8-5-7-14(19)10-15)18(24)20-11-13-6-3-4-9-16(13)25-2/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyUIYZXZHBKLZHDU-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

5-(hydroxymethyl)-N-[(2-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 23607973
2-(3-chlorophenyl)-5-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 9361926
2-(3-chlorophenyl)-5-methyl-N-prop-2-ynyltriazole-4-carboxamide
CID 30601244
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963785
2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide
CID 71791497
2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 78901049
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
2-(3-chlorophenyl)-5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]triazole-4-carboxamide
CID 26955251
N-[(2-methoxyphenyl)methyl]-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936645

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide (CID 9404832) is 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide is COc1ccccc1CNC(=O)c1nn(-c2cccc(Cl)c2)nc1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is UIYZXZHBKLZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-17(22-23(21-12)15-8-5-7-14(19)10-15)18(24)20-11-13-6-3-4-9-16(13)25-2/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-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 2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 9404832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).