4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid

C12H13ClFNO5 — CID 107831753

IUPAC4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
SMILESO=C(COc1ccc(F)cc1Cl)NCCC(O)C(=O)O
InChIInChI=1S/C12H13ClFNO5/c13-8-5-7(14)1-2-10(8)20-6-11(17)15-4-3-9(16)12(18)19/h1-2,5,9,16H,3-4,6H2,(H,15,17)(H,18,19)
InChIKeyALOZAODIUYPIJZ-UHFFFAOYSA-N
MW305.69 g/mol
LogP0.81
Rot. Bonds7

About 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid

4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid (PubChem CID 107831753) has the molecular formula C12H13ClFNO5 and a molecular weight of 305.69 g/mol. Its IUPAC name is 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
PubChem CID107831753
Molecular FormulaC12H13ClFNO5
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
SMILESO=C(COc1ccc(F)cc1Cl)NCCC(O)C(=O)O
InChIInChI=1S/C12H13ClFNO5/c13-8-5-7(14)1-2-10(8)20-6-11(17)15-4-3-9(16)12(18)19/h1-2,5,9,16H,3-4,6H2,(H,15,17)(H,18,19)
InChIKeyALOZAODIUYPIJZ-UHFFFAOYSA-N
XLogP0.81
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744446
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833775
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid (CID 107831753) is 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid is O=C(COc1ccc(F)cc1Cl)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid?
The InChIKey is ALOZAODIUYPIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO5/c13-8-5-7(14)1-2-10(8)20-6-11(17)15-4-3-9(16)12(18)19/h1-2,5,9,16H,3-4,6H2,(H,15,17)(H,18,19).
What are the key properties of 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid?
4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid has a molecular weight of 305.69 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107831753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).