methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate

C11H13ClFNO2 — CID 43200173

IUPACmethyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-7(14-6-11(15)16-2)8-3-4-10(13)9(12)5-8/h3-5,7,14H,6H2,1-2H3
InChIKeyTVUOGKGUCAVFIL-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.30
Rot. Bonds4

About methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate

methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate (PubChem CID 43200173) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
PubChem CID43200173
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Namemethyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-7(14-6-11(15)16-2)8-3-4-10(13)9(12)5-8/h3-5,7,14H,6H2,1-2H3
InChIKeyTVUOGKGUCAVFIL-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[1-(3-chloro-4-fluorophenyl)ethylamino]propanoate
CID 43139693
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
CID 43545015
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
methyl (3R)-3-amino-3-(3-chloro-4-fluorophenyl)propanoate
CID 79021226
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
CID 78968847
2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 97333693
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
methyl 2-[[(4-chlorophenyl)-(4-hydroxyphenyl)methyl]amino]acetate
CID 43095649
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3-dimethoxypropan-1-amine
CID 113368479

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate?
The IUPAC name of methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate (CID 43200173) is methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate?
The canonical SMILES for methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate is COC(=O)CNC(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate?
The InChIKey is TVUOGKGUCAVFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(14-6-11(15)16-2)8-3-4-10(13)9(12)5-8/h3-5,7,14H,6H2,1-2H3.
What are the key properties of methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate?
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate has a molecular weight of 245.68 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate is sourced from PubChem (CID 43200173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).