methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate

C12H15ClFNO3 — CID 62540494

IUPACmethyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
SMILESCOCCNC(C(=O)OC)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO3/c1-17-6-5-15-11(12(16)18-2)8-3-4-9(13)10(14)7-8/h3-4,7,11,15H,5-6H2,1-2H3
InChIKeyDYPCAWCURHKWIF-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.93
Rot. Bonds6

About methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate

methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate (PubChem CID 62540494) has the molecular formula C12H15ClFNO3 and a molecular weight of 275.71 g/mol. Its IUPAC name is methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
PubChem CID62540494
Molecular FormulaC12H15ClFNO3
Molecular Weight275.71 g/mol
Exact Mass275.07
IUPAC Namemethyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
SMILESCOCCNC(C(=O)OC)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO3/c1-17-6-5-15-11(12(16)18-2)8-3-4-9(13)10(14)7-8/h3-4,7,11,15H,5-6H2,1-2H3
InChIKeyDYPCAWCURHKWIF-UHFFFAOYSA-N
XLogP1.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-azidopropylamino)-2-(4-chloro-3-fluorophenyl)acetate
CID 66190499
methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
CID 55084780
ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
CID 107690318
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
CID 65096691
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
CID 83229877
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 65026801
methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
CID 60787024
methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 62540496
methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
CID 62540489
methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate
CID 97061708
methyl (2S)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propanoate
CID 83069851

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate?
The IUPAC name of methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate (CID 62540494) is methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate.
What is the SMILES notation for methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate?
The canonical SMILES for methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate is COCCNC(C(=O)OC)c1ccc(Cl)c(F)c1.
What is the InChIKey of methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate?
The InChIKey is DYPCAWCURHKWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3/c1-17-6-5-15-11(12(16)18-2)8-3-4-9(13)10(14)7-8/h3-4,7,11,15H,5-6H2,1-2H3.
What are the key properties of methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate?
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate has a molecular weight of 275.71 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 62540494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).