[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate

C17H14BrF2NO5 — CID 2388045

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Br)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14BrF2NO5/c18-11-2-1-3-14(8-11)24-10-16(23)25-9-15(22)21-12-4-6-13(7-5-12)26-17(19)20/h1-8,17H,9-10H2,(H,21,22)
InChIKeyIZTVXMJUCFTZKM-UHFFFAOYSA-N
MW430.20 g/mol
LogP3.61
Rot. Bonds8

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate (PubChem CID 2388045) has the molecular formula C17H14BrF2NO5 and a molecular weight of 430.20 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
PubChem CID2388045
Molecular FormulaC17H14BrF2NO5
Molecular Weight430.20 g/mol
Exact Mass429.00
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Br)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14BrF2NO5/c18-11-2-1-3-14(8-11)24-10-16(23)25-9-15(22)21-12-4-6-13(7-5-12)26-17(19)20/h1-8,17H,9-10H2,(H,21,22)
InChIKeyIZTVXMJUCFTZKM-UHFFFAOYSA-N
XLogP3.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821313
[2-(4-chloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7695103
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970608
N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
CID 2709478
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598019
N-[4-(difluoromethoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 2323436
2-(3-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7858810
[2-(4-bromoanilino)-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 33349708
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148015
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913003
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185737

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate (CID 2388045) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate is O=C(COC(=O)COc1cccc(Br)c1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The InChIKey is IZTVXMJUCFTZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2NO5/c18-11-2-1-3-14(8-11)24-10-16(23)25-9-15(22)21-12-4-6-13(7-5-12)26-17(19)20/h1-8,17H,9-10H2,(H,21,22).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate has a molecular weight of 430.20 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 2388045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).