2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide

C17H15ClFN3O5 — CID 4779957

IUPAC2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H15ClFN3O5/c1-21(9-16(23)20-12-4-2-11(19)3-5-12)17(24)10-27-15-7-6-13(22(25)26)8-14(15)18/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyKWKYEIBVXKPXNI-UHFFFAOYSA-N
MW395.77 g/mol
LogP2.86
Rot. Bonds7

About 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide

2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 4779957) has the molecular formula C17H15ClFN3O5 and a molecular weight of 395.77 g/mol. Its IUPAC name is 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID4779957
Molecular FormulaC17H15ClFN3O5
Molecular Weight395.77 g/mol
Exact Mass395.07
IUPAC Name2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H15ClFN3O5/c1-21(9-16(23)20-12-4-2-11(19)3-5-12)17(24)10-27-15-7-6-13(22(25)26)8-14(15)18/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyKWKYEIBVXKPXNI-UHFFFAOYSA-N
XLogP2.86
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-phenoxyacetamide
CID 838230
2-(2-chloro-4-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4780067
2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4780114
4-[2-(2-Chloro-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 4880172
1-[(2-Chlorophenoxy)acetyl]-4-(4-fluorophenyl)piperazine
CID 716264
N-[4-(2-chloro-4-nitrophenoxy)phenyl]acetamide
CID 720227
1-[(2-Chlorophenoxy)acetyl]-4-(2-fluorophenyl)piperazine
CID 977705
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3245729
4-[2-(2-Chloro-4-nitrophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 3919056
2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 3995786
2-(2-chlorophenoxy)-N-(3-chlorophenyl)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579860
2-(2-Chloro-4-nitrophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 4780069

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 4779957) is 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is KWKYEIBVXKPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O5/c1-21(9-16(23)20-12-4-2-11(19)3-5-12)17(24)10-27-15-7-6-13(22(25)26)8-14(15)18/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 395.77 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4779957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).