4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

C23H22FNO3 — CID 10156574

IUPAC4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
SMILESCC(C(=O)Nc1cc(F)ccc1CCCC(=O)O)c1cccc2ccccc12
InChIInChI=1S/C23H22FNO3/c1-15(19-10-4-7-16-6-2-3-9-20(16)19)23(28)25-21-14-18(24)13-12-17(21)8-5-11-22(26)27/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyVOHVCNYTILFPJF-UHFFFAOYSA-N
MW379.43 g/mol
LogP5.13
Rot. Bonds7

About 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid (PubChem CID 10156574) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
PubChem CID10156574
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC Name4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
SMILESCC(C(=O)Nc1cc(F)ccc1CCCC(=O)O)c1cccc2ccccc12
InChIInChI=1S/C23H22FNO3/c1-15(19-10-4-7-16-6-2-3-9-20(16)19)23(28)25-21-14-18(24)13-12-17(21)8-5-11-22(26)27/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyVOHVCNYTILFPJF-UHFFFAOYSA-N
XLogP5.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-[2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 91562881
4-[4-(benzenesulfinylmethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 23017572
4-[4-[[(3-methylbenzoyl)amino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 23016966
4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 174471581
N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide
CID 142214275
4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid
CID 174458881
N-[5-ethynyl-2-(4-oxobutyl)phenyl]-2-naphthalen-1-ylpropanamide
CID 142116711
[2-(diethylamino)-2-oxoethyl] 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate
CID 20747681
10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid
CID 163426192
3-[2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]-4-[(2-phenylhydrazinyl)methyl]phenyl]propanoic acid
CID 151684128
3-[4-isocyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]propanoic acid
CID 20747663
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid?
The IUPAC name of 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid (CID 10156574) is 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid?
The canonical SMILES for 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid is CC(C(=O)Nc1cc(F)ccc1CCCC(=O)O)c1cccc2ccccc12.
What is the InChIKey of 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid?
The InChIKey is VOHVCNYTILFPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c1-15(19-10-4-7-16-6-2-3-9-20(16)19)23(28)25-21-14-18(24)13-12-17(21)8-5-11-22(26)27/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid?
4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid has a molecular weight of 379.43 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid is sourced from PubChem (CID 10156574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).