2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid

C16H16FNO2 — CID 84746879

IUPAC2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid
SMILESO=C(O)C(NCCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c17-14-8-4-7-13(11-14)15(16(19)20)18-10-9-12-5-2-1-3-6-12/h1-8,11,15,18H,9-10H2,(H,19,20)
InChIKeyXIUHQCTYEJKTJS-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.78
Rot. Bonds6

About 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid

2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid (PubChem CID 84746879) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid
PubChem CID84746879
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid
SMILESO=C(O)C(NCCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c17-14-8-4-7-13(11-14)15(16(19)20)18-10-9-12-5-2-1-3-6-12/h1-8,11,15,18H,9-10H2,(H,19,20)
InChIKeyXIUHQCTYEJKTJS-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-fluorophenyl)-2-(2-phenylethylamino)ethanol
CID 124885583
2-(2-azidoethylamino)-2-(3-fluorophenyl)acetic acid
CID 66190399
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide
CID 46342788
(2S)-2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]butylamino]acetic acid
CID 122038559
(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
CID 94812771

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid?
The IUPAC name of 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid (CID 84746879) is 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid?
The canonical SMILES for 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid is O=C(O)C(NCCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid?
The InChIKey is XIUHQCTYEJKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-14-8-4-7-13(11-14)15(16(19)20)18-10-9-12-5-2-1-3-6-12/h1-8,11,15,18H,9-10H2,(H,19,20).
What are the key properties of 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid?
2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid has a molecular weight of 273.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid is sourced from PubChem (CID 84746879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).