2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide

C20H13FN2O3 — CID 6219304

IUPAC2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
SMILESO=C(COc1cccc(F)c1)N/N=C1/C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H13FN2O3/c21-13-6-3-7-14(10-13)26-11-17(24)22-23-19-15-8-1-4-12-5-2-9-16(18(12)15)20(19)25/h1-10H,11H2,(H,22,24)/b23-19+
InChIKeyHBEAMASERKZUAI-FCDQGJHFSA-N
MW348.33 g/mol
LogP3.07
Rot. Bonds4

About 2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide

2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide (PubChem CID 6219304) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
PubChem CID6219304
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
SMILESO=C(COc1cccc(F)c1)N/N=C1/C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H13FN2O3/c21-13-6-3-7-14(10-13)26-11-17(24)22-23-19-15-8-1-4-12-5-2-9-16(18(12)15)20(19)25/h1-10H,11H2,(H,22,24)/b23-19+
InChIKeyHBEAMASERKZUAI-FCDQGJHFSA-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'}

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Related Compounds

2-(3-methylphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6910967
2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6156122
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
CID 9242077
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
CID 9242073
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240333
2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505982
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9241516
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240501

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide (CID 6219304) is 2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide is O=C(COc1cccc(F)c1)N/N=C1/C(=O)c2cccc3cccc1c23.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
The InChIKey is HBEAMASERKZUAI-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-13-6-3-7-14(10-13)26-11-17(24)22-23-19-15-8-1-4-12-5-2-9-16(18(12)15)20(19)25/h1-10H,11H2,(H,22,24)/b23-19+.
What are the key properties of 2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
2-(3-fluorophenoxy)-N-[(E)-(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-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide is sourced from PubChem (CID 6219304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).