3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide

C18H15N3O2 — CID 59091698

IUPAC3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
SMILESNc1cc(C(=O)N/N=C/c2cccc3ccccc23)ccc1O
InChIInChI=1S/C18H15N3O2/c19-16-10-13(8-9-17(16)22)18(23)21-20-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-11,22H,19H2,(H,21,23)/b20-11+
InChIKeyUBBWCDFVENUYFV-RGVLZGJSSA-N
MW305.34 g/mol
LogP2.89
Rot. Bonds3

About 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide

3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide (PubChem CID 59091698) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
PubChem CID59091698
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
SMILESNc1cc(C(=O)N/N=C/c2cccc3ccccc23)ccc1O
InChIInChI=1S/C18H15N3O2/c19-16-10-13(8-9-17(16)22)18(23)21-20-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-11,22H,19H2,(H,21,23)/b20-11+
InChIKeyUBBWCDFVENUYFV-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 87419048
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5056514
2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 17126515
3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 87419079
3,4-dihydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135442286
N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide
CID 71467467
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837487
N-[(E)-(7-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137290368

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide?
The IUPAC name of 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide (CID 59091698) is 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide?
The canonical SMILES for 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide is Nc1cc(C(=O)N/N=C/c2cccc3ccccc23)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide?
The InChIKey is UBBWCDFVENUYFV-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-16-10-13(8-9-17(16)22)18(23)21-20-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-11,22H,19H2,(H,21,23)/b20-11+.
What are the key properties of 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide?
3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]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 3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide is sourced from PubChem (CID 59091698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).