2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide

C23H19F2N3O5 — CID 38134685

IUPAC2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C23H19F2N3O5/c24-19-8-6-17(12-20(19)25)27-22(29)13-26-23(30)14-33-21-9-7-18(28(31)32)11-16(21)10-15-4-2-1-3-5-15/h1-9,11-12H,10,13-14H2,(H,26,30)(H,27,29)
InChIKeyIIHQDVUIKPLXHD-UHFFFAOYSA-N
MW455.42 g/mol
LogP3.60
Rot. Bonds9

About 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 38134685) has the molecular formula C23H19F2N3O5 and a molecular weight of 455.42 g/mol. Its IUPAC name is 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID38134685
Molecular FormulaC23H19F2N3O5
Molecular Weight455.42 g/mol
Exact Mass455.13
IUPAC Name2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C23H19F2N3O5/c24-19-8-6-17(12-20(19)25)27-22(29)13-26-23(30)14-33-21-9-7-18(28(31)32)11-16(21)10-15-4-2-1-3-5-15/h1-9,11-12H,10,13-14H2,(H,26,30)(H,27,29)
InChIKeyIIHQDVUIKPLXHD-UHFFFAOYSA-N
XLogP3.60
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
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

2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 8587696
2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide
CID 27143091
2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 27142980
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 7965634
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 27772708
2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 33482790
1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one
CID 61038327
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
CID 9292846
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007632
[2-[(4-fluorophenyl)methyl]-4-nitrophenyl] hydrogen carbonate
CID 125470549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 38134685) is 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is IIHQDVUIKPLXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O5/c24-19-8-6-17(12-20(19)25)27-22(29)13-26-23(30)14-33-21-9-7-18(28(31)32)11-16(21)10-15-4-2-1-3-5-15/h1-9,11-12H,10,13-14H2,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 455.42 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 38134685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).