N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide

C18H14N2O3 — CID 135981188

IUPACN-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide
SMILESCc1cc(/N=N/C(=O)c2ccccc2)c2c(O)cccc2c1O
InChIInChI=1S/C18H14N2O3/c1-11-10-14(16-13(17(11)22)8-5-9-15(16)21)19-20-18(23)12-6-3-2-4-7-12/h2-10,21-22H,1H3/b20-19+
InChIKeyFXYNYBGEDVETQV-FMQUCBEESA-N
MW306.32 g/mol
LogP4.48
Rot. Bonds2

About N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide

N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide (PubChem CID 135981188) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide.

Molecular Properties

Compound NameN-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide
PubChem CID135981188
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide
SMILESCc1cc(/N=N/C(=O)c2ccccc2)c2c(O)cccc2c1O
InChIInChI=1S/C18H14N2O3/c1-11-10-14(16-13(17(11)22)8-5-9-15(16)21)19-20-18(23)12-6-3-2-4-7-12/h2-10,21-22H,1H3/b20-19+
InChIKeyFXYNYBGEDVETQV-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 N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
The IUPAC name of N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide (CID 135981188) is N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide.
What is the SMILES notation for N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
The canonical SMILES for N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide is Cc1cc(/N=N/C(=O)c2ccccc2)c2c(O)cccc2c1O.
What is the InChIKey of N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
The InChIKey is FXYNYBGEDVETQV-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-10-14(16-13(17(11)22)8-5-9-15(16)21)19-20-18(23)12-6-3-2-4-7-12/h2-10,21-22H,1H3/b20-19+.
What are the key properties of N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
N-(4,8-dihydroxy-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 N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide is sourced from PubChem (CID 135981188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).