methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate

C16H15F2NO2 — CID 135064435

IUPACmethyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate
SMILESCOC(=O)CNC(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H15F2NO2/c1-21-15(20)10-19-16(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)18/h2-9,16,19H,10H2,1H3
InChIKeyPZPSIKWHLAMTRA-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.82
Rot. Bonds5

About methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate

methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate (PubChem CID 135064435) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate
PubChem CID135064435
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate
SMILESCOC(=O)CNC(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H15F2NO2/c1-21-15(20)10-19-16(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)18/h2-9,16,19H,10H2,1H3
InChIKeyPZPSIKWHLAMTRA-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate (CID 135064435) is methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate is COC(=O)CNC(c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate?
The InChIKey is PZPSIKWHLAMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-21-15(20)10-19-16(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)18/h2-9,16,19H,10H2,1H3.
What are the key properties of methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate?
methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate has a molecular weight of 291.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate is sourced from PubChem (CID 135064435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).