methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate

C17H17ClFNO2 — CID 78845448

IUPACmethyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H17ClFNO2/c1-20(11-12-6-5-7-13(19)10-12)16(17(21)22-2)14-8-3-4-9-15(14)18/h3-10,16H,11H2,1-2H3
InChIKeyLUWPQMUURRLPOS-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.83
Rot. Bonds5

About methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate

methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate (PubChem CID 78845448) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate
PubChem CID78845448
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Namemethyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H17ClFNO2/c1-20(11-12-6-5-7-13(19)10-12)16(17(21)22-2)14-8-3-4-9-15(14)18/h3-10,16H,11H2,1-2H3
InChIKeyLUWPQMUURRLPOS-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate (CID 78845448) is methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate is COC(=O)C(c1ccccc1Cl)N(C)Cc1cccc(F)c1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate?
The InChIKey is LUWPQMUURRLPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-20(11-12-6-5-7-13(19)10-12)16(17(21)22-2)14-8-3-4-9-15(14)18/h3-10,16H,11H2,1-2H3.
What are the key properties of methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate?
methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate has a molecular weight of 321.78 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate is sourced from PubChem (CID 78845448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).