2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C18H14N2O2 — CID 794564

IUPAC2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESNC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H14N2O2/c19-18(22)14-7-3-4-8-16(14)20-11-15-13-6-2-1-5-12(13)9-10-17(15)21/h1-11,21H,(H2,19,22)/b20-11+
InChIKeyACZOPDXPANCKJA-RGVLZGJSSA-N
MW290.32 g/mol
LogP3.39
Rot. Bonds3

About 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 794564) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID794564
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESNC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H14N2O2/c19-18(22)14-7-3-4-8-16(14)20-11-15-13-6-2-1-5-12(13)9-10-17(15)21/h1-11,21H,(H2,19,22)/b20-11+
InChIKeyACZOPDXPANCKJA-RGVLZGJSSA-N
XLogP3.39
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 794564) is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is ACZOPDXPANCKJA-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14N2O2/c19-18(22)14-7-3-4-8-16(14)20-11-15-13-6-2-1-5-12(13)9-10-17(15)21/h1-11,21H,(H2,19,22)/b20-11+.
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 290.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 794564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).