4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C18H15N3O2 — CID 135471545

IUPAC4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C18H15N3O2/c19-14-8-5-12(6-9-14)18(23)21-20-11-13-7-10-17(22)16-4-2-1-3-15(13)16/h1-11,22H,19H2,(H,21,23)/b20-11+
InChIKeyZYXVDKOSZLSDOW-RGVLZGJSSA-N
MW305.34 g/mol
LogP2.89
Rot. Bonds3

About 4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide

4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135471545) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135471545
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C18H15N3O2/c19-14-8-5-12(6-9-14)18(23)21-20-11-13-7-10-17(22)16-4-2-1-3-15(13)16/h1-11,22H,19H2,(H,21,23)/b20-11+
InChIKeyZYXVDKOSZLSDOW-RGVLZGJSSA-N
XLogP2.89
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135471545) is 4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2ccc(O)c3ccccc23)cc1.
What is the InChIKey of 4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is ZYXVDKOSZLSDOW-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-14-8-5-12(6-9-14)18(23)21-20-11-13-7-10-17(22)16-4-2-1-3-15(13)16/h1-11,22H,19H2,(H,21,23)/b20-11+.
What are the key properties of 4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 135471545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).