N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide

C15H12N2O3 — CID 107721998

IUPACN-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H12N2O3/c1-9-2-3-10(8-16)6-13(9)17-15(20)12-7-11(18)4-5-14(12)19/h2-7,18-19H,1H3,(H,17,20)
InChIKeyGAOJMRZLPRUEMW-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.53
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide

N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide (PubChem CID 107721998) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
PubChem CID107721998
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H12N2O3/c1-9-2-3-10(8-16)6-13(9)17-15(20)12-7-11(18)4-5-14(12)19/h2-7,18-19H,1H3,(H,17,20)
InChIKeyGAOJMRZLPRUEMW-UHFFFAOYSA-N
XLogP2.53
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
N-(5-cyano-2-methylphenyl)-3-hydroxypyridine-2-carboxamide
CID 62103587
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
CID 106852116
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
CID 78981326
N-(2-cyanophenyl)-2,5-dihydroxybenzamide
CID 107721971
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide (CID 107721998) is N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide is Cc1ccc(C#N)cc1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide?
The InChIKey is GAOJMRZLPRUEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-2-3-10(8-16)6-13(9)17-15(20)12-7-11(18)4-5-14(12)19/h2-7,18-19H,1H3,(H,17,20).
What are the key properties of N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide?
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide has a molecular weight of 268.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107721998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).