2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid

C11H10BrFN2O5 — CID 107600964

IUPAC2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H10BrFN2O5/c12-6-2-1-3-7(13)10(6)15-11(19)14-8(16)4-20-5-9(17)18/h1-3H,4-5H2,(H,17,18)(H2,14,15,16,19)
InChIKeyZFSIZMXPTDAQST-UHFFFAOYSA-N
MW349.11 g/mol
LogP1.34
Rot. Bonds5

About 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 107600964) has the molecular formula C11H10BrFN2O5 and a molecular weight of 349.11 g/mol. Its IUPAC name is 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID107600964
Molecular FormulaC11H10BrFN2O5
Molecular Weight349.11 g/mol
Exact Mass347.98
IUPAC Name2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H10BrFN2O5/c12-6-2-1-3-7(13)10(6)15-11(19)14-8(16)4-20-5-9(17)18/h1-3H,4-5H2,(H,17,18)(H2,14,15,16,19)
InChIKeyZFSIZMXPTDAQST-UHFFFAOYSA-N
XLogP1.34
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromo-6-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107600967
N-(2-bromo-6-fluorophenyl)-2-ethoxyacetamide
CID 71859325
2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107636384
2-[2-[(2,5-dibromophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61468309
2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
CID 107601678
2-[2-(2-fluoro-6-nitroanilino)-2-oxoethoxy]acetic acid
CID 81309953
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid
CID 107601919
(2S)-2-[(2-bromo-6-fluorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005952
(2S)-2-[(2-bromo-6-fluorophenyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 107601893
4-(2-bromo-6-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 103740790
3-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-methylbutanoic acid
CID 107601941

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 107600964) is 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NC(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is ZFSIZMXPTDAQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O5/c12-6-2-1-3-7(13)10(6)15-11(19)14-8(16)4-20-5-9(17)18/h1-3H,4-5H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 349.11 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 107600964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).