2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide

C15H15NO4 — CID 107724903

IUPAC2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1ccc(NC(=O)c2cc(O)ccc2O)cc1
InChIInChI=1S/C15H15NO4/c1-9(17)10-2-4-11(5-3-10)16-15(20)13-8-12(18)6-7-14(13)19/h2-9,17-19H,1H3,(H,16,20)
InChIKeyRHSQKSIAIPFMDK-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.40
Rot. Bonds3

About 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide

2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide (PubChem CID 107724903) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide
PubChem CID107724903
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1ccc(NC(=O)c2cc(O)ccc2O)cc1
InChIInChI=1S/C15H15NO4/c1-9(17)10-2-4-11(5-3-10)16-15(20)13-8-12(18)6-7-14(13)19/h2-9,17-19H,1H3,(H,16,20)
InChIKeyRHSQKSIAIPFMDK-UHFFFAOYSA-N
XLogP2.40
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 43508388
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
N-(3,5-dichlorophenyl)-2,5-dihydroxybenzamide
CID 107722277
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
4-hydroxy-2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 107671338
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
CID 107721355
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide (CID 107724903) is 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide is CC(O)c1ccc(NC(=O)c2cc(O)ccc2O)cc1.
What is the InChIKey of 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide?
The InChIKey is RHSQKSIAIPFMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9(17)10-2-4-11(5-3-10)16-15(20)13-8-12(18)6-7-14(13)19/h2-9,17-19H,1H3,(H,16,20).
What are the key properties of 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide?
2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide has a molecular weight of 273.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 107724903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).