[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate

C18H15F2N3O7 — CID 2573045

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)F
InChIInChI=1S/C18H15F2N3O7/c19-18(20)30-14-7-2-1-6-13(14)22-15(24)10-29-16(25)9-21-17(26)11-4-3-5-12(8-11)23(27)28/h1-8,18H,9-10H2,(H,21,26)(H,22,24)
InChIKeyOAARCEYNKNKGNM-UHFFFAOYSA-N
MW423.33 g/mol
LogP2.11
Rot. Bonds9

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate (PubChem CID 2573045) has the molecular formula C18H15F2N3O7 and a molecular weight of 423.33 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
PubChem CID2573045
Molecular FormulaC18H15F2N3O7
Molecular Weight423.33 g/mol
Exact Mass423.09
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)F
InChIInChI=1S/C18H15F2N3O7/c19-18(20)30-14-7-2-1-6-13(14)22-15(24)10-29-16(25)9-21-17(26)11-4-3-5-12(8-11)23(27)28/h1-8,18H,9-10H2,(H,21,26)(H,22,24)
InChIKeyOAARCEYNKNKGNM-UHFFFAOYSA-N
XLogP2.11
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate (CID 2573045) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate?
The InChIKey is OAARCEYNKNKGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O7/c19-18(20)30-14-7-2-1-6-13(14)22-15(24)10-29-16(25)9-21-17(26)11-4-3-5-12(8-11)23(27)28/h1-8,18H,9-10H2,(H,21,26)(H,22,24).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate has a molecular weight of 423.33 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate is sourced from PubChem (CID 2573045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).