N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide

C18H13N3O4 — CID 3336159

IUPACN-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cccc2ccccc12
InChIInChI=1S/C18H13N3O4/c22-17-9-8-14(21(24)25)10-13(17)11-19-20-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,22H,(H,20,23)
InChIKeyIXNWRKHHULCWKO-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.22
Rot. Bonds4

About N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide

N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 3336159) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID3336159
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cccc2ccccc12
InChIInChI=1S/C18H13N3O4/c22-17-9-8-14(21(24)25)10-13(17)11-19-20-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,22H,(H,20,23)
InChIKeyIXNWRKHHULCWKO-UHFFFAOYSA-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_phenol_A(479)', '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

3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642278
N'-[(1E)-(2-Hydroxy-5-nitrophenyl)methylidene]adamantane-1-carbohydrazide
CID 86261287
Naphthalene-1-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135400487
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-1-carbohydrazide
CID 135403159
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405
N'-{4-hydroxy-3-nitrobenzylidene}-2-(1-naphthyl)acetohydrazide
CID 135455115
4-Amino-benzoic acid [2-hydroxy-5-(naphthalen-1-ylazo)-benzylidene]-hydrazide
CID 135464584
4-Amino-benzoic acid [5-(3,4-dimethyl-phenylazo)-2-hydroxy-benzylidene]-hydrazide
CID 135464585
3-Amino-4-hydroxy-benzoic acid (4-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135538098
2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]benzohydrazide
CID 135641153

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide (CID 3336159) is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cccc2ccccc12.
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is IXNWRKHHULCWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-17-9-8-14(21(24)25)10-13(17)11-19-20-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,22H,(H,20,23).
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-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 N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 3336159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).