2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide

C18H18FN3O5 — CID 2567489

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H18FN3O5/c19-13-1-6-16(22(24)25)17(11-13)27-12-18(23)20-14-2-4-15(5-3-14)21-7-9-26-10-8-21/h1-6,11H,7-10,12H2,(H,20,23)
InChIKeyZINNHLMZHZLFRU-UHFFFAOYSA-N
MW375.36 g/mol
LogP2.59
Rot. Bonds6

About 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide

2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2567489) has the molecular formula C18H18FN3O5 and a molecular weight of 375.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2567489
Molecular FormulaC18H18FN3O5
Molecular Weight375.36 g/mol
Exact Mass375.12
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H18FN3O5/c19-13-1-6-16(22(24)25)17(11-13)27-12-18(23)20-14-2-4-15(5-3-14)21-7-9-26-10-8-21/h1-6,11H,7-10,12H2,(H,20,23)
InChIKeyZINNHLMZHZLFRU-UHFFFAOYSA-N
XLogP2.59
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 2763830
1-[(2-Nitrophenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 717250
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
2-(2-morpholinoethyl)-7-nitro-2H-1,4-benzoxazin-3(4H)-one
CID 3303583
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4880796
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-nitrophenoxy)acetamide
CID 16322266
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2946222
N-(4-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethoxy)phenyl)acetamide (1d)
CID 91937736

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide (CID 2567489) is 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZINNHLMZHZLFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O5/c19-13-1-6-16(22(24)25)17(11-13)27-12-18(23)20-14-2-4-15(5-3-14)21-7-9-26-10-8-21/h1-6,11H,7-10,12H2,(H,20,23).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 375.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2567489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).