N-(2-cyanophenyl)-2,5-dihydroxybenzamide

C14H10N2O3 — CID 107721971

IUPACN-(2-cyanophenyl)-2,5-dihydroxybenzamide
SMILESN#Cc1ccccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H10N2O3/c15-8-9-3-1-2-4-12(9)16-14(19)11-7-10(17)5-6-13(11)18/h1-7,17-18H,(H,16,19)
InChIKeyLPDDNYMOQNXZSP-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.22
Rot. Bonds2

About N-(2-cyanophenyl)-2,5-dihydroxybenzamide

N-(2-cyanophenyl)-2,5-dihydroxybenzamide (PubChem CID 107721971) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2,5-dihydroxybenzamide
PubChem CID107721971
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC NameN-(2-cyanophenyl)-2,5-dihydroxybenzamide
SMILESN#Cc1ccccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H10N2O3/c15-8-9-3-1-2-4-12(9)16-14(19)11-7-10(17)5-6-13(11)18/h1-7,17-18H,(H,16,19)
InChIKeyLPDDNYMOQNXZSP-UHFFFAOYSA-N
XLogP2.22
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.22
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-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803
N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
CID 107723124
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998
2-chloro-N-(5-chloro-2-cyanophenyl)-5-hydroxybenzamide
CID 106501019
N-(2-cyanophenyl)-2-(trifluoromethyl)benzamide
CID 24695576
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
(2-cyanophenyl)urea
CID 13155570
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
CID 43377432
N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
CID 43377431
5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
CID 62167777

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-cyanophenyl)-2,5-dihydroxybenzamide (CID 107721971) is N-(2-cyanophenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-cyanophenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-cyanophenyl)-2,5-dihydroxybenzamide is N#Cc1ccccc1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(2-cyanophenyl)-2,5-dihydroxybenzamide?
The InChIKey is LPDDNYMOQNXZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-8-9-3-1-2-4-12(9)16-14(19)11-7-10(17)5-6-13(11)18/h1-7,17-18H,(H,16,19).
What are the key properties of N-(2-cyanophenyl)-2,5-dihydroxybenzamide?
N-(2-cyanophenyl)-2,5-dihydroxybenzamide has a molecular weight of 254.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107721971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).