4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid

C16H14FNO4 — CID 21367225

IUPAC4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14FNO4/c1-10(22-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(3-7-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyKDEQKYGAHXDSQZ-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.93
Rot. Bonds5

About 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid

4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid (PubChem CID 21367225) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
PubChem CID21367225
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14FNO4/c1-10(22-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(3-7-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyKDEQKYGAHXDSQZ-UHFFFAOYSA-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-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
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
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid?
The IUPAC name of 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid (CID 21367225) is 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid?
The canonical SMILES for 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid is CC(Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid?
The InChIKey is KDEQKYGAHXDSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-10(22-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(3-7-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid?
4-[2-(4-fluorophenoxy)propanoylamino]benzoic 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 4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid is sourced from PubChem (CID 21367225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).