2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid

C11H11ClFNO4 — CID 110482879

IUPAC2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO4/c12-8-2-1-7(9(13)3-8)4-14-10(15)5-18-6-11(16)17/h1-3H,4-6H2,(H,14,15)(H,16,17)
InChIKeyUNKPWQIQJLZDOE-UHFFFAOYSA-N
MW275.66 g/mol
LogP1.20
Rot. Bonds6

About 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 110482879) has the molecular formula C11H11ClFNO4 and a molecular weight of 275.66 g/mol. Its IUPAC name is 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID110482879
Molecular FormulaC11H11ClFNO4
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO4/c12-8-2-1-7(9(13)3-8)4-14-10(15)5-18-6-11(16)17/h1-3H,4-6H2,(H,14,15)(H,16,17)
InChIKeyUNKPWQIQJLZDOE-UHFFFAOYSA-N
XLogP1.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 110482951
2-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-2-oxoethoxy]acetic acid
CID 2811466
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 166226019
2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 17283229
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328410
2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 8578532
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid (CID 110482879) is 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NCc1ccc(Cl)cc1F.
What is the InChIKey of 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is UNKPWQIQJLZDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4/c12-8-2-1-7(9(13)3-8)4-14-10(15)5-18-6-11(16)17/h1-3H,4-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 275.66 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 110482879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).