3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid

C19H15ClFNO3 — CID 71718050

IUPAC3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid
SMILESCc1c(CCC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFNO3/c1-11-15(7-9-18(23)24)16-10-14(21)6-8-17(16)22(11)19(25)12-2-4-13(20)5-3-12/h2-6,8,10H,7,9H2,1H3,(H,23,24)
InChIKeyIRIACGXTWHBCDK-UHFFFAOYSA-N
MW359.78 g/mol
LogP4.45
Rot. Bonds4

About 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid

3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid (PubChem CID 71718050) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid
PubChem CID71718050
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Name3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid
SMILESCc1c(CCC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFNO3/c1-11-15(7-9-18(23)24)16-10-14(21)6-8-17(16)22(11)19(25)12-2-4-13(20)5-3-12/h2-6,8,10H,7,9H2,1H3,(H,23,24)
InChIKeyIRIACGXTWHBCDK-UHFFFAOYSA-N
XLogP4.45
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid (CID 71718050) is 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid is Cc1c(CCC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid?
The InChIKey is IRIACGXTWHBCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3/c1-11-15(7-9-18(23)24)16-10-14(21)6-8-17(16)22(11)19(25)12-2-4-13(20)5-3-12/h2-6,8,10H,7,9H2,1H3,(H,23,24).
What are the key properties of 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid?
3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid has a molecular weight of 359.78 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid is sourced from PubChem (CID 71718050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).