(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid

C16H14FNO4 — CID 733394

IUPAC(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C16H14FNO4/c1-10(16(20)21)22-14-8-2-11(3-9-14)15(19)18-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,18,19)(H,20,21)/t10-/m0/s1
InChIKeyKTYKXXHHZUCCAG-JTQLQIEISA-N
MW303.29 g/mol
LogP2.93
Rot. Bonds5

About (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid

(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid (PubChem CID 733394) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
PubChem CID733394
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C16H14FNO4/c1-10(16(20)21)22-14-8-2-11(3-9-14)15(19)18-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,18,19)(H,20,21)/t10-/m0/s1
InChIKeyKTYKXXHHZUCCAG-JTQLQIEISA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
2-(4-fluorophenoxy)propanoic acid
CID 3872140
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
2-[4-[(4-piperazin-1-ylbenzoyl)amino]phenoxy]propanoic acid
CID 54057200
cyclohexyl (2R)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 7695417
cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 7695414
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid (CID 733394) is (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid is C[C@H](Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid?
The InChIKey is KTYKXXHHZUCCAG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FNO4/c1-10(16(20)21)22-14-8-2-11(3-9-14)15(19)18-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,18,19)(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid?
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid has a molecular weight of 303.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid is sourced from PubChem (CID 733394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).