3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide

C18H13N3O4 — CID 6870532

IUPAC3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1O
InChIInChI=1S/C18H13N3O4/c22-17-10-13-6-2-1-5-12(13)9-15(17)18(23)20-19-11-14-7-3-4-8-16(14)21(24)25/h1-11,22H,(H,20,23)/b19-11+
InChIKeyLYOAQKWVHZVHAI-YBFXNURJSA-N
MW335.32 g/mol
LogP3.22
Rot. Bonds4

About 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 6870532) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID6870532
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1O
InChIInChI=1S/C18H13N3O4/c22-17-10-13-6-2-1-5-12(13)9-15(17)18(23)20-19-11-14-7-3-4-8-16(14)21(24)25/h1-11,22H,(H,20,23)/b19-11+
InChIKeyLYOAQKWVHZVHAI-YBFXNURJSA-N
XLogP3.22
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332442
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
3-hydroxy-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 146510329
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
N-[(E)-(3-bromo-4-hydroxy-5-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135606510
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5431937
3-hydroxy-N-[(4-methyl-3-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3883204
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
CID 7373636
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 5137761

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide (CID 6870532) is 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is LYOAQKWVHZVHAI-YBFXNURJSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-17-10-13-6-2-1-5-12(13)9-15(17)18(23)20-19-11-14-7-3-4-8-16(14)21(24)25/h1-11,22H,(H,20,23)/b19-11+.
What are the key properties of 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 335.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6870532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).