2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid

C11H10BrFN2O5 — CID 107636384

IUPAC2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H10BrFN2O5/c12-7-2-1-6(13)3-8(7)14-11(19)15-9(16)4-20-5-10(17)18/h1-3H,4-5H2,(H,17,18)(H2,14,15,16,19)
InChIKeyFRTWYFASLROGOW-UHFFFAOYSA-N
MW349.11 g/mol
LogP1.34
Rot. Bonds5

About 2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 107636384) has the molecular formula C11H10BrFN2O5 and a molecular weight of 349.11 g/mol. Its IUPAC name is 2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID107636384
Molecular FormulaC11H10BrFN2O5
Molecular Weight349.11 g/mol
Exact Mass347.98
IUPAC Name2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H10BrFN2O5/c12-7-2-1-6(13)3-8(7)14-11(19)15-9(16)4-20-5-10(17)18/h1-3H,4-5H2,(H,17,18)(H2,14,15,16,19)
InChIKeyFRTWYFASLROGOW-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

2-[2-[(2,5-dibromophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61468309
2-[2-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107600964
4-[(2-bromo-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28939564
5-(2-bromo-5-fluoroanilino)-5-oxopentanoic acid
CID 104573927
2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107607069
2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 62871537
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
4-[(2-bromo-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107628722
2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 103750559
(2-bromo-5-fluorophenyl)urea
CID 99639427
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463026
3-[(2-bromo-5-fluorophenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 107628841

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 107636384) is 2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NC(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is FRTWYFASLROGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O5/c12-7-2-1-6(13)3-8(7)14-11(19)15-9(16)4-20-5-10(17)18/h1-3H,4-5H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(2-bromo-5-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-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 107636384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).