3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid

C16H14FNO3 — CID 62882788

IUPAC3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c17-14-9-5-4-8-12(14)15(19)18-10-13(16(20)21)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,19)(H,20,21)
InChIKeyYJFJWPOJBIULFK-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.42
Rot. Bonds5

About 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid

3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid (PubChem CID 62882788) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid
PubChem CID62882788
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c17-14-9-5-4-8-12(14)15(19)18-10-13(16(20)21)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,19)(H,20,21)
InChIKeyYJFJWPOJBIULFK-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166
2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
CID 51145365
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921485
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106108103

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid (CID 62882788) is 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid is O=C(NCC(C(=O)O)c1ccccc1)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid?
The InChIKey is YJFJWPOJBIULFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-14-9-5-4-8-12(14)15(19)18-10-13(16(20)21)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid?
3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid has a molecular weight of 287.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62882788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).