2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid

C24H20FNO3 — CID 67649862

IUPAC2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(-c1ccc(F)cc1)n2Cc1ccccc1
InChIInChI=1S/C24H20FNO3/c1-29-19-11-12-22-20(13-19)21(14-23(27)28)24(17-7-9-18(25)10-8-17)26(22)15-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyCDJWEWZPWZTAKD-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.13
Rot. Bonds6

About 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid

2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid (PubChem CID 67649862) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid
PubChem CID67649862
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(-c1ccc(F)cc1)n2Cc1ccccc1
InChIInChI=1S/C24H20FNO3/c1-29-19-11-12-22-20(13-19)21(14-23(27)28)24(17-7-9-18(25)10-8-17)26(22)15-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyCDJWEWZPWZTAKD-UHFFFAOYSA-N
XLogP5.13
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic 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

2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid
CID 21191884
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-(1-benzyl-2-cyclopropyl-5-methoxyindol-3-yl)acetic acid
CID 21191871
methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate
CID 67650230
2-(9-benzyl-4-ethyl-6-methoxy-1-methylsulfanylcarbazol-2-yl)acetic acid
CID 67696118
2-(9-benzyl-6-methoxy-4-methyl-1-methylsulfanylcarbazol-2-yl)acetic acid
CID 54227252
2-[5-methoxy-2-methyl-1-(pyridin-3-ylmethyl)indol-3-yl]acetic acid
CID 23368789
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide
CID 10688272
N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide
CID 139336695
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylmethoxyindol-3-yl]acetic acid
CID 19935726
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid?
The IUPAC name of 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid (CID 67649862) is 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid is COc1ccc2c(c1)c(CC(=O)O)c(-c1ccc(F)cc1)n2Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid?
The InChIKey is CDJWEWZPWZTAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-29-19-11-12-22-20(13-19)21(14-23(27)28)24(17-7-9-18(25)10-8-17)26(22)15-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,27,28).
What are the key properties of 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid?
2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid has a molecular weight of 389.43 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid is sourced from PubChem (CID 67649862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).