5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid

C23H17ClFNO3 — CID 56675218

IUPAC5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid
SMILESCOc1ccccc1-c1c(C(=O)O)n(Cc2ccccc2F)c2ccc(Cl)cc12
InChIInChI=1S/C23H17ClFNO3/c1-29-20-9-5-3-7-16(20)21-17-12-15(24)10-11-19(17)26(22(21)23(27)28)13-14-6-2-4-8-18(14)25/h2-12H,13H2,1H3,(H,27,28)
InChIKeyWUXZQCIMYJKAHD-UHFFFAOYSA-N
MW409.84 g/mol
LogP5.86
Rot. Bonds5

About 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid

5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid (PubChem CID 56675218) has the molecular formula C23H17ClFNO3 and a molecular weight of 409.84 g/mol. Its IUPAC name is 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid
PubChem CID56675218
Molecular FormulaC23H17ClFNO3
Molecular Weight409.84 g/mol
Exact Mass409.09
IUPAC Name5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid
SMILESCOc1ccccc1-c1c(C(=O)O)n(Cc2ccccc2F)c2ccc(Cl)cc12
InChIInChI=1S/C23H17ClFNO3/c1-29-20-9-5-3-7-16(20)21-17-12-15(24)10-11-19(17)26(22(21)23(27)28)13-14-6-2-4-8-18(14)25/h2-12H,13H2,1H3,(H,27,28)
InChIKeyWUXZQCIMYJKAHD-UHFFFAOYSA-N
XLogP5.86
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.84
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid?
The IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid (CID 56675218) is 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid is COc1ccccc1-c1c(C(=O)O)n(Cc2ccccc2F)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid?
The InChIKey is WUXZQCIMYJKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO3/c1-29-20-9-5-3-7-16(20)21-17-12-15(24)10-11-19(17)26(22(21)23(27)28)13-14-6-2-4-8-18(14)25/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid?
5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid has a molecular weight of 409.84 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)indole-2-carboxylic acid is sourced from PubChem (CID 56675218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).