2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid

C10H9ClFNO4 — CID 107363764

IUPAC2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H9ClFNO4/c11-6-1-7(12)3-8(2-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyQYJYXJAWAZMHTN-UHFFFAOYSA-N
MW261.64 g/mol
LogP1.52
Rot. Bonds5

About 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid

2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid (PubChem CID 107363764) has the molecular formula C10H9ClFNO4 and a molecular weight of 261.64 g/mol. Its IUPAC name is 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid
PubChem CID107363764
Molecular FormulaC10H9ClFNO4
Molecular Weight261.64 g/mol
Exact Mass261.02
IUPAC Name2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H9ClFNO4/c11-6-1-7(12)3-8(2-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyQYJYXJAWAZMHTN-UHFFFAOYSA-N
XLogP1.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.64
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid
CID 2732298
2-[2-(3-chloro-5-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 107363768
2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid
CID 107368671
methyl 5-(3-chloro-5-fluoroanilino)-5-oxopentanoate
CID 86817129
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434
2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 107368670
N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide
CID 107365757
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755
3-[(3-chloro-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107368755
2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107365940
2-(3-chloro-5-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 107365048
N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954855

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid (CID 107363764) is 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid?
The InChIKey is QYJYXJAWAZMHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO4/c11-6-1-7(12)3-8(2-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid?
2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid has a molecular weight of 261.64 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 107363764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).