4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

C19H16N2O3 — CID 6875509

IUPAC4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C19H16N2O3/c1-24-18-11-8-14(16-4-2-3-5-17(16)18)12-20-21-19(23)13-6-9-15(22)10-7-13/h2-12,22H,1H3,(H,21,23)/b20-12+
InChIKeyDZBRZMBKGYYKTP-UDWIEESQSA-N
MW320.35 g/mol
LogP3.32
Rot. Bonds4

About 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 6875509) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID6875509
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C19H16N2O3/c1-24-18-11-8-14(16-4-2-3-5-17(16)18)12-20-21-19(23)13-6-9-15(22)10-7-13/h2-12,22H,1H3,(H,21,23)/b20-12+
InChIKeyDZBRZMBKGYYKTP-UDWIEESQSA-N
XLogP3.32
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (CID 6875509) is 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is DZBRZMBKGYYKTP-UDWIEESQSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-18-11-8-14(16-4-2-3-5-17(16)18)12-20-21-19(23)13-6-9-15(22)10-7-13/h2-12,22H,1H3,(H,21,23)/b20-12+.
What are the key properties of 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 320.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 6875509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).