2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid

C11H11BrF2N2O4 — CID 79464283

IUPAC2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H11BrF2N2O4/c12-7-3-6(13)4-8(14)10(7)16-11(19)15-1-2-20-5-9(17)18/h3-4H,1-2,5H2,(H,17,18)(H2,15,16,19)
InChIKeyBYWSSWAZCFGLGW-UHFFFAOYSA-N
MW353.12 g/mol
LogP1.95
Rot. Bonds6

About 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79464283) has the molecular formula C11H11BrF2N2O4 and a molecular weight of 353.12 g/mol. Its IUPAC name is 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid
PubChem CID79464283
Molecular FormulaC11H11BrF2N2O4
Molecular Weight353.12 g/mol
Exact Mass351.99
IUPAC Name2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H11BrF2N2O4/c12-7-3-6(13)4-8(14)10(7)16-11(19)15-1-2-20-5-9(17)18/h3-4H,1-2,5H2,(H,17,18)(H2,15,16,19)
InChIKeyBYWSSWAZCFGLGW-UHFFFAOYSA-N
XLogP1.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid 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-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
CID 107601678
1-(2-bromo-4,6-difluorophenyl)-3-butylurea
CID 113218580
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463026
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
2-[2-[(3-bromo-4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 114262271
2-[2-[(2,6-dichlorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464423
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid
CID 63645609
2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480250
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2-[[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetic acid
CID 91645749
2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464278

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid (CID 79464283) is 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid is O=C(O)COCCNC(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is BYWSSWAZCFGLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O4/c12-7-3-6(13)4-8(14)10(7)16-11(19)15-1-2-20-5-9(17)18/h3-4H,1-2,5H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 353.12 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79464283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).