2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid

C11H12Br2N2O4 — CID 107601678

IUPAC2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H12Br2N2O4/c12-7-2-1-3-8(13)10(7)15-11(18)14-4-5-19-6-9(16)17/h1-3H,4-6H2,(H,16,17)(H2,14,15,18)
InChIKeyLCEYDXFUOUMJHT-UHFFFAOYSA-N
MW396.04 g/mol
LogP2.43
Rot. Bonds6

About 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 107601678) has the molecular formula C11H12Br2N2O4 and a molecular weight of 396.04 g/mol. Its IUPAC name is 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
PubChem CID107601678
Molecular FormulaC11H12Br2N2O4
Molecular Weight396.04 g/mol
Exact Mass393.92
IUPAC Name2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H12Br2N2O4/c12-7-2-1-3-8(13)10(7)15-11(18)14-4-5-19-6-9(16)17/h1-3H,4-6H2,(H,16,17)(H2,14,15,18)
InChIKeyLCEYDXFUOUMJHT-UHFFFAOYSA-N
XLogP2.43
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.04
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2,6-dichlorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464423
2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463759
2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464283
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
7-[(2,6-dibromophenyl)carbamoylamino]heptanoic acid
CID 107601826
2-[2-[(3-bromo-4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 114262271
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464278
2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463433
2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463530
2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
CID 107517184
2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463712

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid (CID 107601678) is 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid is O=C(O)COCCNC(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is LCEYDXFUOUMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O4/c12-7-2-1-3-8(13)10(7)15-11(18)14-4-5-19-6-9(16)17/h1-3H,4-6H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 396.04 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 107601678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).