5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide

C15H14ClNO2 — CID 29276344

IUPAC5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClNO2/c1-10-2-4-11(5-3-10)9-17-15(19)13-8-12(16)6-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyDECLPJVPMFWYIF-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.28
Rot. Bonds3

About 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide

5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 29276344) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID29276344
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClNO2/c1-10-2-4-11(5-3-10)9-17-15(19)13-8-12(16)6-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyDECLPJVPMFWYIF-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide (CID 29276344) is 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is DECLPJVPMFWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-2-4-11(5-3-10)9-17-15(19)13-8-12(16)6-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide?
5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 29276344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).