N-benzyl-3-hydroxybenzamide

C14H13NO2 — CID 2394019

IUPACN-benzyl-3-hydroxybenzamide
SMILESO=C(NCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C14H13NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H,15,17)
InChIKeyCMTKGWDQXAODLW-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.32
Rot. Bonds3

About N-benzyl-3-hydroxybenzamide

N-benzyl-3-hydroxybenzamide (PubChem CID 2394019) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-benzyl-3-hydroxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxybenzamide
PubChem CID2394019
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC NameN-benzyl-3-hydroxybenzamide
SMILESO=C(NCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C14H13NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H,15,17)
InChIKeyCMTKGWDQXAODLW-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydroxybenzamide?
The IUPAC name of N-benzyl-3-hydroxybenzamide (CID 2394019) is N-benzyl-3-hydroxybenzamide.
What is the SMILES notation for N-benzyl-3-hydroxybenzamide?
The canonical SMILES for N-benzyl-3-hydroxybenzamide is O=C(NCc1ccccc1)c1cccc(O)c1.
What is the InChIKey of N-benzyl-3-hydroxybenzamide?
The InChIKey is CMTKGWDQXAODLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H,15,17).
What are the key properties of N-benzyl-3-hydroxybenzamide?
N-benzyl-3-hydroxybenzamide has a molecular weight of 227.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydroxybenzamide is sourced from PubChem (CID 2394019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).