2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide

C18H14N2O3 — CID 3910376

IUPAC2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide
SMILESCc1cc(/N=N/C(=O)c2ccccc2O)c2ccccc2c1O
InChIInChI=1S/C18H14N2O3/c1-11-10-15(12-6-2-3-7-13(12)17(11)22)19-20-18(23)14-8-4-5-9-16(14)21/h2-10,21-22H,1H3/b20-19+
InChIKeyOHDMSSCAPMJWRF-FMQUCBEESA-N
MW306.32 g/mol
LogP4.48
Rot. Bonds2

About 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide

2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide (PubChem CID 3910376) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide
PubChem CID3910376
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide
SMILESCc1cc(/N=N/C(=O)c2ccccc2O)c2ccccc2c1O
InChIInChI=1S/C18H14N2O3/c1-11-10-15(12-6-2-3-7-13(12)17(11)22)19-20-18(23)14-8-4-5-9-16(14)21/h2-10,21-22H,1H3/b20-19+
InChIKeyOHDMSSCAPMJWRF-FMQUCBEESA-N
XLogP4.48
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
The IUPAC name of 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide (CID 3910376) is 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide.
What is the SMILES notation for 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
The canonical SMILES for 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide is Cc1cc(/N=N/C(=O)c2ccccc2O)c2ccccc2c1O.
What is the InChIKey of 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
The InChIKey is OHDMSSCAPMJWRF-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-10-15(12-6-2-3-7-13(12)17(11)22)19-20-18(23)14-8-4-5-9-16(14)21/h2-10,21-22H,1H3/b20-19+.
What are the key properties of 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide has a molecular weight of 306.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-hydroxy-3-methylnaphthalen-1-yl)iminobenzamide is sourced from PubChem (CID 3910376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).