N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide

C18H14N2O3 — CID 570072

IUPACN-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide
SMILESCc1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc2c1O
InChIInChI=1S/C18H14N2O3/c1-11-16(21)14-10-6-5-9-13(14)15(17(11)22)19-20-18(23)12-7-3-2-4-8-12/h2-10,21-22H,1H3/b20-19+
InChIKeyVIXLMJFUKSDSBO-FMQUCBEESA-N
MW306.32 g/mol
LogP4.48
Rot. Bonds2

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

N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide (PubChem CID 570072) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide.

Molecular Properties

Compound NameN-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide
PubChem CID570072
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide
SMILESCc1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc2c1O
InChIInChI=1S/C18H14N2O3/c1-11-16(21)14-10-6-5-9-13(14)15(17(11)22)19-20-18(23)12-7-3-2-4-8-12/h2-10,21-22H,1H3/b20-19+
InChIKeyVIXLMJFUKSDSBO-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-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
The IUPAC name of N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide (CID 570072) is N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide.
What is the SMILES notation for N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
The canonical SMILES for N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide is Cc1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc2c1O.
What is the InChIKey of N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
The InChIKey is VIXLMJFUKSDSBO-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-16(21)14-10-6-5-9-13(14)15(17(11)22)19-20-18(23)12-7-3-2-4-8-12/h2-10,21-22H,1H3/b20-19+.
What are the key properties of N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide?
N-(2,4-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-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide is sourced from PubChem (CID 570072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).