4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid

C19H20FNO3 — CID 119201110

IUPAC4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)CCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H20FNO3/c20-16-9-6-14(7-10-16)8-12-18(22)21-17(11-13-19(23)24)15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2,(H,21,22)(H,23,24)
InChIKeyNJGCXDZGWBZYAP-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.48
Rot. Bonds8

About 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid

4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid (PubChem CID 119201110) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
PubChem CID119201110
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)CCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H20FNO3/c20-16-9-6-14(7-10-16)8-12-18(22)21-17(11-13-19(23)24)15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2,(H,21,22)(H,23,24)
InChIKeyNJGCXDZGWBZYAP-UHFFFAOYSA-N
XLogP3.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-4-phenylbutanoic acid
CID 119201407
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
4-[3-(1-methylpyrazol-4-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201149
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
N-(2-anilino-2-oxo-1-phenylethyl)-3-(4-fluorophenyl)propanamide
CID 55779002
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 99951707

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid?
The IUPAC name of 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid (CID 119201110) is 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid is O=C(O)CCC(NC(=O)CCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid?
The InChIKey is NJGCXDZGWBZYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-9-6-14(7-10-16)8-12-18(22)21-17(11-13-19(23)24)15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2,(H,21,22)(H,23,24).
What are the key properties of 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid?
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid has a molecular weight of 329.37 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).