2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide

C19H15N3O4 — CID 774635

IUPAC2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O4/c23-19(21-20-12-14-5-8-17(9-6-14)22(24)25)13-26-18-10-7-15-3-1-2-4-16(15)11-18/h1-12H,13H2,(H,21,23)
InChIKeyDKWQCJMXJDWKFT-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.28
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide

2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 774635) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
PubChem CID774635
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O4/c23-19(21-20-12-14-5-8-17(9-6-14)22(24)25)13-26-18-10-7-15-3-1-2-4-16(15)11-18/h1-12H,13H2,(H,21,23)
InChIKeyDKWQCJMXJDWKFT-UHFFFAOYSA-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'}

Analyze 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5446414
2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4633369
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1240410
2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 1237523
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909373

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide (CID 774635) is 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide is O=C(COc1ccc2ccccc2c1)NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is DKWQCJMXJDWKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-19(21-20-12-14-5-8-17(9-6-14)22(24)25)13-26-18-10-7-15-3-1-2-4-16(15)11-18/h1-12H,13H2,(H,21,23).
What are the key properties of 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide?
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]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 2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 774635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).