2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide

C16H17NO3 — CID 103891803

IUPAC2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C16H17NO3/c1-10(2)12-5-3-4-6-14(12)17-16(20)13-9-11(18)7-8-15(13)19/h3-10,18-19H,1-2H3,(H,17,20)
InChIKeyQGQHXKJVKFGFST-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.47
Rot. Bonds3

About 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide

2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 103891803) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
PubChem CID103891803
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C16H17NO3/c1-10(2)12-5-3-4-6-14(12)17-16(20)13-9-11(18)7-8-15(13)19/h3-10,18-19H,1-2H3,(H,17,20)
InChIKeyQGQHXKJVKFGFST-UHFFFAOYSA-N
XLogP3.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
CID 107723124
5-chloro-N-[2-(1-chloroethyl)phenyl]-2-hydroxybenzamide
CID 114304723
2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508470
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
N-(2-cyanophenyl)-2,5-dihydroxybenzamide
CID 107721971
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
N-(2-propan-2-ylphenyl)benzamide
CID 723391
1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 125145147
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
2-hydrazinyl-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 62510956

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide (CID 103891803) is 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is QGQHXKJVKFGFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10(2)12-5-3-4-6-14(12)17-16(20)13-9-11(18)7-8-15(13)19/h3-10,18-19H,1-2H3,(H,17,20).
What are the key properties of 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide?
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 103891803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).