2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide

C20H13FN2O3 — CID 6173888

IUPAC2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
SMILESO=C(COc1ccccc1F)N/N=C1\C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H13FN2O3/c21-15-9-1-2-10-16(15)26-11-17(24)22-23-19-13-7-3-5-12-6-4-8-14(18(12)13)20(19)25/h1-10H,11H2,(H,22,24)/b23-19-
InChIKeyFMESPPOFXOIHAA-NMWGTECJSA-N
MW348.33 g/mol
LogP3.07
Rot. Bonds4

About 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide

2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide (PubChem CID 6173888) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
PubChem CID6173888
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
SMILESO=C(COc1ccccc1F)N/N=C1\C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H13FN2O3/c21-15-9-1-2-10-16(15)26-11-17(24)22-23-19-13-7-3-5-12-6-4-8-14(18(12)13)20(19)25/h1-10H,11H2,(H,22,24)/b23-19-
InChIKeyFMESPPOFXOIHAA-NMWGTECJSA-N
XLogP3.07
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]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

2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6219304
2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6156122
2-(3-methylphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6910967
N-(1,3-dihydroinden-2-ylideneamino)-2-(2-fluorophenoxy)acetamide
CID 9317079
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
2-(2-cyanophenoxy)-N-(fluoren-9-ylideneamino)acetamide
CID 9467609
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one
CID 9466512
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
2-(2-fluorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9316868
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide (CID 6173888) is 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide is O=C(COc1ccccc1F)N/N=C1\C(=O)c2cccc3cccc1c23.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
The InChIKey is FMESPPOFXOIHAA-NMWGTECJSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-15-9-1-2-10-16(15)26-11-17(24)22-23-19-13-7-3-5-12-6-4-8-14(18(12)13)20(19)25/h1-10H,11H2,(H,22,24)/b23-19-.
What are the key properties of 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide has a molecular weight of 348.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide is sourced from PubChem (CID 6173888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).