N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide

C19H15N3O4 — CID 7332460

IUPACN-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccc2ccccc12
InChIInChI=1S/C19H15N3O4/c23-19(13-26-18-11-4-3-10-17(18)22(24)25)21-20-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2,(H,21,23)/b20-12-
InChIKeyJPJKFJWTHSNWOO-NDENLUEZSA-N
MW349.35 g/mol
LogP3.28
Rot. Bonds6

About N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 7332460) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID7332460
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccc2ccccc12
InChIInChI=1S/C19H15N3O4/c23-19(13-26-18-11-4-3-10-17(18)22(24)25)21-20-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2,(H,21,23)/b20-12-
InChIKeyJPJKFJWTHSNWOO-NDENLUEZSA-N
XLogP3.28
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-methyl-2-nitrophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 1245758
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
2-(2,3-dichlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 4059063
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136664097
2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 19182341
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide (CID 7332460) is N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccc2ccccc12.
What is the InChIKey of N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is JPJKFJWTHSNWOO-NDENLUEZSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-19(13-26-18-11-4-3-10-17(18)22(24)25)21-20-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 349.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7332460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).