2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide

C17H15F2N3O6 — CID 58929157

IUPAC2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide
SMILESCNC(=O)CNC(=O)C(F)(F)Oc1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15F2N3O6/c1-20-15(23)10-21-16(24)17(18,19)28-14-5-3-2-4-13(14)27-12-8-6-11(7-9-12)22(25)26/h2-9H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyOKWHHVOMZATWDK-UHFFFAOYSA-N
MW395.32 g/mol
LogP2.22
Rot. Bonds8

About 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide

2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide (PubChem CID 58929157) has the molecular formula C17H15F2N3O6 and a molecular weight of 395.32 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide
PubChem CID58929157
Molecular FormulaC17H15F2N3O6
Molecular Weight395.32 g/mol
Exact Mass395.09
IUPAC Name2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide
SMILESCNC(=O)CNC(=O)C(F)(F)Oc1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15F2N3O6/c1-20-15(23)10-21-16(24)17(18,19)28-14-5-3-2-4-13(14)27-12-8-6-11(7-9-12)22(25)26/h2-9H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyOKWHHVOMZATWDK-UHFFFAOYSA-N
XLogP2.22
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

tert-butyl 2-[[2,2-difluoro-2-[2-(4-nitrophenoxy)phenoxy]acetyl]amino]acetate
CID 58929127
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
2-methyl-2-[2-(4-nitrophenoxy)phenoxy]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 58929081
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
N,N-dimethyl-2-(4-nitrophenoxy)benzamide
CID 70538094
1-[1,1,1,3,3,3-hexafluoro-2-[2-(4-nitrophenoxy)phenyl]propan-2-yl]-2-(4-nitrophenoxy)benzene
CID 139816676
2-(4-nitrophenoxy)benzoic acid
CID 139059188
N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide
CID 58929138
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 24529878
1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanone
CID 60678624
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 43214518

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide (CID 58929157) is 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide is CNC(=O)CNC(=O)C(F)(F)Oc1ccccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide?
The InChIKey is OKWHHVOMZATWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O6/c1-20-15(23)10-21-16(24)17(18,19)28-14-5-3-2-4-13(14)27-12-8-6-11(7-9-12)22(25)26/h2-9H,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide?
2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide has a molecular weight of 395.32 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(methylamino)-2-oxoethyl]-2-[2-(4-nitrophenoxy)phenoxy]acetamide is sourced from PubChem (CID 58929157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).