2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid

C9H7ClFNO4 — CID 139634524

IUPAC2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid
SMILESNC(=O)c1cc(OCC(=O)O)c(Cl)cc1F
InChIInChI=1S/C9H7ClFNO4/c10-5-2-6(11)4(9(12)15)1-7(5)16-3-8(13)14/h1-2H,3H2,(H2,12,15)(H,13,14)
InChIKeyLXRJDHQDUSBPTK-UHFFFAOYSA-N
MW247.61 g/mol
LogP1.04
Rot. Bonds4

About 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid

2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid (PubChem CID 139634524) has the molecular formula C9H7ClFNO4 and a molecular weight of 247.61 g/mol. Its IUPAC name is 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid
PubChem CID139634524
Molecular FormulaC9H7ClFNO4
Molecular Weight247.61 g/mol
Exact Mass247.00
IUPAC Name2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid
SMILESNC(=O)c1cc(OCC(=O)O)c(Cl)cc1F
InChIInChI=1S/C9H7ClFNO4/c10-5-2-6(11)4(9(12)15)1-7(5)16-3-8(13)14/h1-2H,3H2,(H2,12,15)(H,13,14)
InChIKeyLXRJDHQDUSBPTK-UHFFFAOYSA-N
XLogP1.04
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.61
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[(6-chloro-1,3-benzodioxol-5-yl)oxy]acetic acid
CID 84693959
[4-[5-(2-amino-2-oxoethoxy)-4-chloro-2-fluorophenyl]-2-methyl-4-oxobutan-2-yl] acetate
CID 174310963
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide
CID 22359307
2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid
CID 18543387
3-[4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorophenyl]-3-oxopropanoate
CID 22359301
2-chloro-4,5-diethoxybenzamide
CID 82268164
2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid
CID 165346728
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
2-[5-[1-[5-(carboxymethoxy)-2,4-dichlorophenyl]-2,2,2-trichloroethyl]-2,4-dichlorophenoxy]acetic acid
CID 10698296

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid?
The IUPAC name of 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid (CID 139634524) is 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid?
The canonical SMILES for 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid is NC(=O)c1cc(OCC(=O)O)c(Cl)cc1F.
What is the InChIKey of 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid?
The InChIKey is LXRJDHQDUSBPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO4/c10-5-2-6(11)4(9(12)15)1-7(5)16-3-8(13)14/h1-2H,3H2,(H2,12,15)(H,13,14).
What are the key properties of 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid?
2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid has a molecular weight of 247.61 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid is sourced from PubChem (CID 139634524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).