2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid

C15H14FNO2 — CID 3054402

IUPAC2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2/c16-13-8-6-12(7-9-13)15(17-10-14(18)19)11-4-2-1-3-5-11/h1-9,15,17H,10H2,(H,18,19)
InChIKeyBDAKANVSWOYOHW-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.59
Rot. Bonds5

About 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid

2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid (PubChem CID 3054402) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid
PubChem CID3054402
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2/c16-13-8-6-12(7-9-13)15(17-10-14(18)19)11-4-2-1-3-5-11/h1-9,15,17H,10H2,(H,18,19)
InChIKeyBDAKANVSWOYOHW-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid?
The IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid (CID 3054402) is 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid?
The canonical SMILES for 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid is O=C(O)CNC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid?
The InChIKey is BDAKANVSWOYOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-8-6-12(7-9-13)15(17-10-14(18)19)11-4-2-1-3-5-11/h1-9,15,17H,10H2,(H,18,19).
What are the key properties of 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid?
2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid has a molecular weight of 259.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid is sourced from PubChem (CID 3054402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).