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

C18H13N3O3 — CID 6872935

IUPACN-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C18H13N3O3/c22-18(15-10-9-13-5-1-2-6-14(13)11-15)20-19-12-16-7-3-4-8-17(16)21(23)24/h1-12H,(H,20,22)/b19-12+
InChIKeyCIKIPBSGEKXDCN-XDHOZWIPSA-N
MW319.32 g/mol
LogP3.51
Rot. Bonds4

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

N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 6872935) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID6872935
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C18H13N3O3/c22-18(15-10-9-13-5-1-2-6-14(13)11-15)20-19-12-16-7-3-4-8-17(16)21(23)24/h1-12H,(H,20,22)/b19-12+
InChIKeyCIKIPBSGEKXDCN-XDHOZWIPSA-N
XLogP3.51
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
CID 155522498
N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907887
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332346
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
CID 6737093
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 6117441
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110527226
2-(4-methoxyphenyl)-N-[(2-nitrophenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
CID 78614394
N-[(2-nitrophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925685
N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6736199

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide (CID 6872935) is N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1.
What is the InChIKey of N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is CIKIPBSGEKXDCN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-18(15-10-9-13-5-1-2-6-14(13)11-15)20-19-12-16-7-3-4-8-17(16)21(23)24/h1-12H,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6872935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).