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

C16H16FNO2 — CID 43190784

IUPACmethyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate
SMILESCOC(=O)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-20-15(19)11-18-16(12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h2-10,16,18H,11H2,1H3
InChIKeyPXUQCMRFRYYDLK-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.68
Rot. Bonds5

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

methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate (PubChem CID 43190784) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate
PubChem CID43190784
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Namemethyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate
SMILESCOC(=O)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-20-15(19)11-18-16(12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h2-10,16,18H,11H2,1H3
InChIKeyPXUQCMRFRYYDLK-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate?
The IUPAC name of methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate (CID 43190784) is methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate?
The canonical SMILES for methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate is COC(=O)CNC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate?
The InChIKey is PXUQCMRFRYYDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-15(19)11-18-16(12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h2-10,16,18H,11H2,1H3.
What are the key properties of methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate?
methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate has a molecular weight of 273.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate is sourced from PubChem (CID 43190784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).