2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid

C15H15FNO4P — CID 70266830

IUPAC2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NP(=O)(O)Cc1ccccc1F
InChIInChI=1S/C15H15FNO4P/c16-13-7-3-1-6-12(13)10-22(20,21)17-14-8-4-2-5-11(14)9-15(18)19/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
InChIKeyAODIKPNQSVSNNI-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.25
Rot. Bonds6

About 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid

2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid (PubChem CID 70266830) has the molecular formula C15H15FNO4P and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid
PubChem CID70266830
Molecular FormulaC15H15FNO4P
Molecular Weight323.26 g/mol
Exact Mass323.07
IUPAC Name2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NP(=O)(O)Cc1ccccc1F
InChIInChI=1S/C15H15FNO4P/c16-13-7-3-1-6-12(13)10-22(20,21)17-14-8-4-2-5-11(14)9-15(18)19/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
InChIKeyAODIKPNQSVSNNI-UHFFFAOYSA-N
XLogP3.25
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid (CID 70266830) is 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NP(=O)(O)Cc1ccccc1F.
What is the InChIKey of 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid?
The InChIKey is AODIKPNQSVSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FNO4P/c16-13-7-3-1-6-12(13)10-22(20,21)17-14-8-4-2-5-11(14)9-15(18)19/h1-8H,9-10H2,(H,18,19)(H2,17,20,21).
What are the key properties of 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid?
2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid has a molecular weight of 323.26 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl]amino]phenyl]acetic acid is sourced from PubChem (CID 70266830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).