methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate

C10H11ClFNO2 — CID 28567058

IUPACmethyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-15-10(14)6-13-5-7-2-3-8(12)4-9(7)11/h2-4,13H,5-6H2,1H3
InChIKeyQUBRDFFSXMUZMJ-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.74
Rot. Bonds4

About methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate

methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate (PubChem CID 28567058) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
PubChem CID28567058
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Namemethyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-15-10(14)6-13-5-7-2-3-8(12)4-9(7)11/h2-4,13H,5-6H2,1H3
InChIKeyQUBRDFFSXMUZMJ-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-chloro-4-fluorophenyl)methylamino]butanoate
CID 83321645
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947
methyl 2-[(2,5-difluorophenyl)methylamino]acetate
CID 43312522
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
N-[(2-chloro-4-fluorophenyl)methyl]-5-methoxypentan-1-amine
CID 103792840
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
4-[(2-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 64913736
methyl N-[2-[(2-chloro-4-fluorophenyl)methylamino]propyl]carbamate
CID 167981878
2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
CID 102616791
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
CID 115257355

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate (CID 28567058) is methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate is COC(=O)CNCc1ccc(F)cc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate?
The InChIKey is QUBRDFFSXMUZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-15-10(14)6-13-5-7-2-3-8(12)4-9(7)11/h2-4,13H,5-6H2,1H3.
What are the key properties of methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate?
methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate has a molecular weight of 231.65 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate is sourced from PubChem (CID 28567058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).