4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid

C17H16FNO4 — CID 110671683

IUPAC4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid
SMILESO=C(O)CCC(NC(=O)Oc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO4/c18-13-8-6-12(7-9-13)15(10-11-16(20)21)19-17(22)23-14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H,19,22)(H,20,21)
InChIKeyJWXCADYYAMIVDG-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.52
Rot. Bonds6

About 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid

4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid (PubChem CID 110671683) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid
PubChem CID110671683
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid
SMILESO=C(O)CCC(NC(=O)Oc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO4/c18-13-8-6-12(7-9-13)15(10-11-16(20)21)19-17(22)23-14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H,19,22)(H,20,21)
InChIKeyJWXCADYYAMIVDG-UHFFFAOYSA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylphenyl)butanoic acid
CID 123772508
4-(4-fluorophenyl)-4-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 110671680
phenyl N-[2-(dimethylamino)-1-phenylethyl]carbamate
CID 60676334
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583
tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate
CID 146633642
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
[2-(phenoxycarbonylamino)-2-phenylethyl] methanesulfonate
CID 142664065
4-(4-chlorophenyl)-4-[(2-phenylacetyl)oxymethoxycarbonylamino]butanoic acid
CID 66754273
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid?
The IUPAC name of 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid (CID 110671683) is 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid is O=C(O)CCC(NC(=O)Oc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid?
The InChIKey is JWXCADYYAMIVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c18-13-8-6-12(7-9-13)15(10-11-16(20)21)19-17(22)23-14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H,19,22)(H,20,21).
What are the key properties of 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid?
4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid has a molecular weight of 317.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-(phenoxycarbonylamino)butanoic acid is sourced from PubChem (CID 110671683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).