2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid

C11H12F2N2O4 — CID 79463026

IUPAC2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H12F2N2O4/c12-7-1-2-8(13)9(5-7)15-11(18)14-3-4-19-6-10(16)17/h1-2,5H,3-4,6H2,(H,16,17)(H2,14,15,18)
InChIKeyQUHLCTFHTKBLRL-UHFFFAOYSA-N
MW274.22 g/mol
LogP1.19
Rot. Bonds6

About 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79463026) has the molecular formula C11H12F2N2O4 and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
PubChem CID79463026
Molecular FormulaC11H12F2N2O4
Molecular Weight274.22 g/mol
Exact Mass274.08
IUPAC Name2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H12F2N2O4/c12-7-1-2-8(13)9(5-7)15-11(18)14-3-4-19-6-10(16)17/h1-2,5H,3-4,6H2,(H,16,17)(H2,14,15,18)
InChIKeyQUHLCTFHTKBLRL-UHFFFAOYSA-N
XLogP1.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 51.19
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-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
2-[2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464283
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 113258094
1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
CID 108901812
2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid
CID 69319429
1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452641
2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463530
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid (CID 79463026) is 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid is O=C(O)COCCNC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is QUHLCTFHTKBLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4/c12-7-1-2-8(13)9(5-7)15-11(18)14-3-4-19-6-10(16)17/h1-2,5H,3-4,6H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 274.22 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).