N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide

C15H9N3O3 — CID 103944403

IUPACN-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1C#N
InChIInChI=1S/C15H9N3O3/c16-7-9-1-2-12(3-11(9)8-17)18-15(21)10-4-13(19)6-14(20)5-10/h1-6,19-20H,(H,18,21)
InChIKeyCOVQJYIHHPYSBT-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.09
Rot. Bonds2

About N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide

N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide (PubChem CID 103944403) has the molecular formula C15H9N3O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
PubChem CID103944403
Molecular FormulaC15H9N3O3
Molecular Weight279.26 g/mol
Exact Mass279.06
IUPAC NameN-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1C#N
InChIInChI=1S/C15H9N3O3/c16-7-9-1-2-12(3-11(9)8-17)18-15(21)10-4-13(19)6-14(20)5-10/h1-6,19-20H,(H,18,21)
InChIKeyCOVQJYIHHPYSBT-UHFFFAOYSA-N
XLogP2.09
TPSA117.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-(3,4-dicyanophenyl)acetamide
CID 12938829
3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
CID 107786866
3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
N-(3,4-dicyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 103944404
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide
CID 103944405
N-[2-(cyanomethyl)-1,3-dioxoisoindol-5-yl]-3,5-dihydroxybenzamide
CID 142452732
3-(chloromethyl)-N-(3,4-dicyanophenyl)benzamide
CID 107788654
N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 75517629

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide (CID 103944403) is N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide is N#Cc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1C#N.
What is the InChIKey of N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide?
The InChIKey is COVQJYIHHPYSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O3/c16-7-9-1-2-12(3-11(9)8-17)18-15(21)10-4-13(19)6-14(20)5-10/h1-6,19-20H,(H,18,21).
What are the key properties of N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide?
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide has a molecular weight of 279.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 103944403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).