methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

C13H15ClFNO4 — CID 103885183

IUPACmethyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFNO4/c1-19-11(17)7-16(8-12(18)20-2)6-9-4-3-5-10(14)13(9)15/h3-5H,6-8H2,1-2H3
InChIKeyRRHCLBLRMODYPF-UHFFFAOYSA-N
MW303.72 g/mol
LogP1.63
Rot. Bonds6

About methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 103885183) has the molecular formula C13H15ClFNO4 and a molecular weight of 303.72 g/mol. Its IUPAC name is methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID103885183
Molecular FormulaC13H15ClFNO4
Molecular Weight303.72 g/mol
Exact Mass303.07
IUPAC Namemethyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFNO4/c1-19-11(17)7-16(8-12(18)20-2)6-9-4-3-5-10(14)13(9)15/h3-5H,6-8H2,1-2H3
InChIKeyRRHCLBLRMODYPF-UHFFFAOYSA-N
XLogP1.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate
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2-[(3-chloro-2-fluorophenyl)methyl-ethylamino]acetic acid
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methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate
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methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate
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methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
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methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 103885183) is methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)Cc1cccc(Cl)c1F.
What is the InChIKey of methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is RRHCLBLRMODYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO4/c1-19-11(17)7-16(8-12(18)20-2)6-9-4-3-5-10(14)13(9)15/h3-5H,6-8H2,1-2H3.
What are the key properties of methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 303.72 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 103885183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).