2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid

C16H11ClFNO2 — CID 151859382

IUPAC2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClFNO2/c17-11-1-6-15-14(8-11)10(7-16(20)21)9-19(15)13-4-2-12(18)3-5-13/h1-6,8-9H,7H2,(H,20,21)
InChIKeySKJXEEXOJPCUHY-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.05
Rot. Bonds3

About 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid

2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid (PubChem CID 151859382) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid
PubChem CID151859382
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClFNO2/c17-11-1-6-15-14(8-11)10(7-16(20)21)9-19(15)13-4-2-12(18)3-5-13/h1-6,8-9H,7H2,(H,20,21)
InChIKeySKJXEEXOJPCUHY-UHFFFAOYSA-N
XLogP4.05
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid (CID 151859382) is 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid is O=C(O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid?
The InChIKey is SKJXEEXOJPCUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-11-1-6-15-14(8-11)10(7-16(20)21)9-19(15)13-4-2-12(18)3-5-13/h1-6,8-9H,7H2,(H,20,21).
What are the key properties of 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid?
2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid has a molecular weight of 303.72 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid is sourced from PubChem (CID 151859382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).