methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate

C10H11ClFNO3 — CID 22073037

IUPACmethyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H11ClFNO3/c1-5(10(14)15-2)16-9-4-8(13)7(12)3-6(9)11/h3-5H,13H2,1-2H3
InChIKeySNLUREDAMPBORS-UHFFFAOYSA-N
MW247.65 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate

methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate (PubChem CID 22073037) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
PubChem CID22073037
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Namemethyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H11ClFNO3/c1-5(10(14)15-2)16-9-4-8(13)7(12)3-6(9)11/h3-5H,13H2,1-2H3
InChIKeySNLUREDAMPBORS-UHFFFAOYSA-N
XLogP2.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-2-fluoro-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxyphenyl]-2-oxoacetic acid
CID 141015580
methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate
CID 107498115
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
methyl 2-(3-amino-4-fluorophenoxy)propanoate
CID 66717597
methyl (2R)-2-(3-amino-4-fluorophenoxy)propanoate
CID 170783565
2-(5-amino-2-chloro-4-fluorophenoxy)propanenitrile
CID 19986362
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
methyl 2-(5-amino-2-chloro-4-fluorophenyl)sulfanyl-3-methylbutanoate
CID 139689898
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate?
The IUPAC name of methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate (CID 22073037) is methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate.
What is the SMILES notation for methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate?
The canonical SMILES for methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate is COC(=O)C(C)Oc1cc(N)c(F)cc1Cl.
What is the InChIKey of methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate?
The InChIKey is SNLUREDAMPBORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c1-5(10(14)15-2)16-9-4-8(13)7(12)3-6(9)11/h3-5H,13H2,1-2H3.
What are the key properties of methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate?
methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate has a molecular weight of 247.65 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate is sourced from PubChem (CID 22073037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).