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

C17H13ClFNO2 — CID 18175150

IUPAC2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
SMILESCC(C(=O)O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H13ClFNO2/c1-9(17(21)22)15-13-8-11(18)4-7-14(13)20-16(15)10-2-5-12(19)6-3-10/h2-9,20H,1H3,(H,21,22)
InChIKeyDUEXPDGTELWQBB-UHFFFAOYSA-N
MW317.75 g/mol
LogP4.82
Rot. Bonds3

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

2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid (PubChem CID 18175150) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
PubChem CID18175150
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
SMILESCC(C(=O)O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H13ClFNO2/c1-9(17(21)22)15-13-8-11(18)4-7-14(13)20-16(15)10-2-5-12(19)6-3-10/h2-9,20H,1H3,(H,21,22)
InChIKeyDUEXPDGTELWQBB-UHFFFAOYSA-N
XLogP4.82
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid?
The IUPAC name of 2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid (CID 18175150) is 2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid.
What is the SMILES notation for 2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid?
The canonical SMILES for 2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid is CC(C(=O)O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid?
The InChIKey is DUEXPDGTELWQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-9(17(21)22)15-13-8-11(18)4-7-14(13)20-16(15)10-2-5-12(19)6-3-10/h2-9,20H,1H3,(H,21,22).
What are the key properties of 2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid?
2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid has a molecular weight of 317.75 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid is sourced from PubChem (CID 18175150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).