(2-fluorophenyl) 2-amino-2-phenylpropanoate

C15H14FNO2 — CID 174648990

IUPAC(2-fluorophenyl) 2-amino-2-phenylpropanoate
SMILESCC(N)(C(=O)Oc1ccccc1F)c1ccccc1
InChIInChI=1S/C15H14FNO2/c1-15(17,11-7-3-2-4-8-11)14(18)19-13-10-6-5-9-12(13)16/h2-10H,17H2,1H3
InChIKeyQTOIYMSUWLZQFT-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.61
Rot. Bonds3

About (2-fluorophenyl) 2-amino-2-phenylpropanoate

(2-fluorophenyl) 2-amino-2-phenylpropanoate (PubChem CID 174648990) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (2-fluorophenyl) 2-amino-2-phenylpropanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-amino-2-phenylpropanoate
PubChem CID174648990
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(2-fluorophenyl) 2-amino-2-phenylpropanoate
SMILESCC(N)(C(=O)Oc1ccccc1F)c1ccccc1
InChIInChI=1S/C15H14FNO2/c1-15(17,11-7-3-2-4-8-11)14(18)19-13-10-6-5-9-12(13)16/h2-10H,17H2,1H3
InChIKeyQTOIYMSUWLZQFT-UHFFFAOYSA-N
XLogP2.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117051075
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
(1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate
CID 70557740
benzyl 2-amino-2-phenylpropanoate
CID 54322564
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
1-O-(2-fluorophenyl) 3-O-propyl 2,2-diethylpropanedioate
CID 91708713
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
CID 65127341

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-amino-2-phenylpropanoate?
The IUPAC name of (2-fluorophenyl) 2-amino-2-phenylpropanoate (CID 174648990) is (2-fluorophenyl) 2-amino-2-phenylpropanoate.
What is the SMILES notation for (2-fluorophenyl) 2-amino-2-phenylpropanoate?
The canonical SMILES for (2-fluorophenyl) 2-amino-2-phenylpropanoate is CC(N)(C(=O)Oc1ccccc1F)c1ccccc1.
What is the InChIKey of (2-fluorophenyl) 2-amino-2-phenylpropanoate?
The InChIKey is QTOIYMSUWLZQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-15(17,11-7-3-2-4-8-11)14(18)19-13-10-6-5-9-12(13)16/h2-10H,17H2,1H3.
What are the key properties of (2-fluorophenyl) 2-amino-2-phenylpropanoate?
(2-fluorophenyl) 2-amino-2-phenylpropanoate has a molecular weight of 259.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-amino-2-phenylpropanoate is sourced from PubChem (CID 174648990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).