methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate

C11H12Cl2FNO2 — CID 43545015

IUPACmethyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(15-5-9(16)17-2)10-7(12)3-4-8(14)11(10)13/h3-4,6,15H,5H2,1-2H3
InChIKeyUQJDKGSYIKYFIF-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.96
Rot. Bonds4

About methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate

methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate (PubChem CID 43545015) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
PubChem CID43545015
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Namemethyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(15-5-9(16)17-2)10-7(12)3-4-8(14)11(10)13/h3-4,6,15H,5H2,1-2H3
InChIKeyUQJDKGSYIKYFIF-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate 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-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115709508
(2S)-1-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 122131753
ethyl 4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]butanoate
CID 64578328
1-(2,6-dichloro-3-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897527
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 86813916
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548563
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986789

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate?
The IUPAC name of methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate (CID 43545015) is methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate?
The canonical SMILES for methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate is COC(=O)CNC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate?
The InChIKey is UQJDKGSYIKYFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-6(15-5-9(16)17-2)10-7(12)3-4-8(14)11(10)13/h3-4,6,15H,5H2,1-2H3.
What are the key properties of methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate?
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate has a molecular weight of 280.13 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate is sourced from PubChem (CID 43545015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).