1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide

C17H15ClN4O2 — CID 51100081

IUPAC1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C17H15ClN4O2/c1-21(10-12-5-4-6-13(23)9-12)17(24)15-11-22(20-19-15)16-8-3-2-7-14(16)18/h2-9,11,23H,10H2,1H3
InChIKeySKNGDBBBWGLSSL-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.90
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide

1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide (PubChem CID 51100081) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide
PubChem CID51100081
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C17H15ClN4O2/c1-21(10-12-5-4-6-13(23)9-12)17(24)15-11-22(20-19-15)16-8-3-2-7-14(16)18/h2-9,11,23H,10H2,1H3
InChIKeySKNGDBBBWGLSSL-UHFFFAOYSA-N
XLogP2.90
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2-chlorophenyl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 119172878
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
3-[2-[[1-(2-chlorophenyl)triazole-4-carbonyl]amino]ethyl]benzoic acid
CID 167860031
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-[[1-(2,3-dichlorophenyl)triazol-4-yl]methyl]-N-methylacetamide
CID 154781376
5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934042
1-(2-chlorophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 49320521
1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide
CID 141406259

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide (CID 51100081) is 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1cn(-c2ccccc2Cl)nn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is SKNGDBBBWGLSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-21(10-12-5-4-6-13(23)9-12)17(24)15-11-22(20-19-15)16-8-3-2-7-14(16)18/h2-9,11,23H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide?
1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 51100081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).