4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid

C19H18FNO2 — CID 20887554

IUPAC4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid
SMILESO=C(O)CCCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H18FNO2/c20-16-10-8-14(9-11-16)12-21-13-15(4-3-7-19(22)23)17-5-1-2-6-18(17)21/h1-2,5-6,8-11,13H,3-4,7,12H2,(H,22,23)
InChIKeyLFPJZAHFVVKECK-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.24
Rot. Bonds6

About 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid

4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid (PubChem CID 20887554) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid
PubChem CID20887554
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid
SMILESO=C(O)CCCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H18FNO2/c20-16-10-8-14(9-11-16)12-21-13-15(4-3-7-19(22)23)17-5-1-2-6-18(17)21/h1-2,5-6,8-11,13H,3-4,7,12H2,(H,22,23)
InChIKeyLFPJZAHFVVKECK-UHFFFAOYSA-N
XLogP4.24
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid (CID 20887554) is 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid is O=C(O)CCCc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid?
The InChIKey is LFPJZAHFVVKECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-16-10-8-14(9-11-16)12-21-13-15(4-3-7-19(22)23)17-5-1-2-6-18(17)21/h1-2,5-6,8-11,13H,3-4,7,12H2,(H,22,23).
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid?
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid has a molecular weight of 311.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]butanoic acid is sourced from PubChem (CID 20887554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).