3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid

C28H24FNO4 — CID 69077665

IUPAC3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid
SMILESO=C(NC(Cc1ccc(F)cc1)C(=O)O)c1ccc2ccccc2c1OCCc1ccccc1
InChIInChI=1S/C28H24FNO4/c29-22-13-10-20(11-14-22)18-25(28(32)33)30-27(31)24-15-12-21-8-4-5-9-23(21)26(24)34-17-16-19-6-2-1-3-7-19/h1-15,25H,16-18H2,(H,30,31)(H,32,33)
InChIKeyIFGYSVQHEIIHKK-UHFFFAOYSA-N
MW457.50 g/mol
LogP5.03
Rot. Bonds9

About 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid

3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid (PubChem CID 69077665) has the molecular formula C28H24FNO4 and a molecular weight of 457.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid
PubChem CID69077665
Molecular FormulaC28H24FNO4
Molecular Weight457.50 g/mol
Exact Mass457.17
IUPAC Name3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid
SMILESO=C(NC(Cc1ccc(F)cc1)C(=O)O)c1ccc2ccccc2c1OCCc1ccccc1
InChIInChI=1S/C28H24FNO4/c29-22-13-10-20(11-14-22)18-25(28(32)33)30-27(31)24-15-12-21-8-4-5-9-23(21)26(24)34-17-16-19-6-2-1-3-7-19/h1-15,25H,16-18H2,(H,30,31)(H,32,33)
InChIKeyIFGYSVQHEIIHKK-UHFFFAOYSA-N
XLogP5.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 69079313
(2S)-3-[4-(diaminomethylideneamino)phenyl]-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 168751782
(2S)-3-hydroxy-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 168751650
ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
CID 43877682
2-(cinnoline-3-carbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 171320846
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 59949188
N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
CID 161200705
2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 13488140
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 69081541
3-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 132893045

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid (CID 69077665) is 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid is O=C(NC(Cc1ccc(F)cc1)C(=O)O)c1ccc2ccccc2c1OCCc1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid?
The InChIKey is IFGYSVQHEIIHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO4/c29-22-13-10-20(11-14-22)18-25(28(32)33)30-27(31)24-15-12-21-8-4-5-9-23(21)26(24)34-17-16-19-6-2-1-3-7-19/h1-15,25H,16-18H2,(H,30,31)(H,32,33).
What are the key properties of 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid?
3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid has a molecular weight of 457.50 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 69077665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).