2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide

C16H13ClN4O2 — CID 834469

IUPAC2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c(O)c1
InChIInChI=1S/C16H13ClN4O2/c1-10-2-5-14(15(22)6-10)20-16(23)12-7-11(3-4-13(12)17)21-8-18-19-9-21/h2-9,22H,1H3,(H,20,23)
InChIKeyHFYNWQWJECVJCY-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 834469) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID834469
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c(O)c1
InChIInChI=1S/C16H13ClN4O2/c1-10-2-5-14(15(22)6-10)20-16(23)12-7-11(3-4-13(12)17)21-8-18-19-9-21/h2-9,22H,1H3,(H,20,23)
InChIKeyHFYNWQWJECVJCY-UHFFFAOYSA-N
XLogP3.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide
CID 51166452
4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 3359174
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50880772
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 1242037
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
3-[[2-chloro-5-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6955830
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide
CID 60727615
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 39890234
2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide
CID 100906985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide (CID 834469) is 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide is Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c(O)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is HFYNWQWJECVJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-10-2-5-14(15(22)6-10)20-16(23)12-7-11(3-4-13(12)17)21-8-18-19-9-21/h2-9,22H,1H3,(H,20,23).
What are the key properties of 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 328.76 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 834469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).