4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C18H14N2O2 — CID 625904

IUPAC4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESNC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H14N2O2/c19-18(22)13-5-8-14(9-6-13)20-11-16-15-4-2-1-3-12(15)7-10-17(16)21/h1-11,21H,(H2,19,22)/b20-11+
InChIKeyRVNDCIQDTBTVJQ-RGVLZGJSSA-N
MW290.32 g/mol
LogP3.39
Rot. Bonds3

About 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 625904) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID625904
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESNC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H14N2O2/c19-18(22)13-5-8-14(9-6-13)20-11-16-15-4-2-1-3-12(15)7-10-17(16)21/h1-11,21H,(H2,19,22)/b20-11+
InChIKeyRVNDCIQDTBTVJQ-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'}

Analyze 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 625904) is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is NC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is RVNDCIQDTBTVJQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14N2O2/c19-18(22)13-5-8-14(9-6-13)20-11-16-15-4-2-1-3-12(15)7-10-17(16)21/h1-11,21H,(H2,19,22)/b20-11+.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
4-[(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 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 625904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).