2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

C19H15N3O3 — CID 5394055

IUPAC2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O3/c23-19(12-16-8-4-7-15-6-1-2-10-18(15)16)21-20-13-14-5-3-9-17(11-14)22(24)25/h1-11,13H,12H2,(H,21,23)/b20-13-
InChIKeyIKNXAUNSDDFPJB-MOSHPQCFSA-N
MW333.35 g/mol
LogP3.44
Rot. Bonds5

About 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 5394055) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID5394055
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O3/c23-19(12-16-8-4-7-15-6-1-2-10-18(15)16)21-20-13-14-5-3-9-17(11-14)22(24)25/h1-11,13H,12H2,(H,21,23)/b20-13-
InChIKeyIKNXAUNSDDFPJB-MOSHPQCFSA-N
XLogP3.44
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.44
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-naphthalen-1-yl-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 4596802
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905
3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 171131742
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5395300
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 135827937

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (CID 5394055) is 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is O=C(Cc1cccc2ccccc12)N/N=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is IKNXAUNSDDFPJB-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-19(12-16-8-4-7-15-6-1-2-10-18(15)16)21-20-13-14-5-3-9-17(11-14)22(24)25/h1-11,13H,12H2,(H,21,23)/b20-13-.
What are the key properties of 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 333.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5394055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).