N-(4-hydroxyphenyl)-3-methylbenzamide

C14H13NO2 — CID 836078

IUPACN-(4-hydroxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C14H13NO2/c1-10-3-2-4-11(9-10)14(17)15-12-5-7-13(16)8-6-12/h2-9,16H,1H3,(H,15,17)
InChIKeySAKAFVKKYGXYEN-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.95
Rot. Bonds2

About N-(4-hydroxyphenyl)-3-methylbenzamide

N-(4-hydroxyphenyl)-3-methylbenzamide (PubChem CID 836078) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-methylbenzamide
PubChem CID836078
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC NameN-(4-hydroxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C14H13NO2/c1-10-3-2-4-11(9-10)14(17)15-12-5-7-13(16)8-6-12/h2-9,16H,1H3,(H,15,17)
InChIKeySAKAFVKKYGXYEN-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-methylbenzamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-methylbenzamide (CID 836078) is N-(4-hydroxyphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-methylbenzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(O)cc2)c1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-methylbenzamide?
The InChIKey is SAKAFVKKYGXYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-3-2-4-11(9-10)14(17)15-12-5-7-13(16)8-6-12/h2-9,16H,1H3,(H,15,17).
What are the key properties of N-(4-hydroxyphenyl)-3-methylbenzamide?
N-(4-hydroxyphenyl)-3-methylbenzamide has a molecular weight of 227.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 836078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).