2,3-dihydroxy-N-(2-phenylethyl)benzamide

C15H15NO3 — CID 22895318

IUPAC2,3-dihydroxy-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(O)c1O
InChIInChI=1S/C15H15NO3/c17-13-8-4-7-12(14(13)18)15(19)16-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,16,19)
InChIKeyQEPZNESNGFONRA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.07
Rot. Bonds4

About 2,3-dihydroxy-N-(2-phenylethyl)benzamide

2,3-dihydroxy-N-(2-phenylethyl)benzamide (PubChem CID 22895318) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2-phenylethyl)benzamide
PubChem CID22895318
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2,3-dihydroxy-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(O)c1O
InChIInChI=1S/C15H15NO3/c17-13-8-4-7-12(14(13)18)15(19)16-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,16,19)
InChIKeyQEPZNESNGFONRA-UHFFFAOYSA-N
XLogP2.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343241
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
N-(2-fluoroethyl)-2,3-dihydroxybenzamide
CID 130478170
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(2-phenylethyl)benzamide (CID 22895318) is 2,3-dihydroxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(2-phenylethyl)benzamide?
The InChIKey is QEPZNESNGFONRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-13-8-4-7-12(14(13)18)15(19)16-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,16,19).
What are the key properties of 2,3-dihydroxy-N-(2-phenylethyl)benzamide?
2,3-dihydroxy-N-(2-phenylethyl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 22895318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).