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

C18H13ClFNO3 — CID 67474725

IUPAC2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClFNO3/c1-10-14(9-17(22)23)15-8-13(20)6-7-16(15)21(10)18(24)11-2-4-12(19)5-3-11/h2-8H,9H2,1H3,(H,22,23)
InChIKeyUEEDYBNIUXWFAP-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.06
Rot. Bonds3

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

2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid (PubChem CID 67474725) has the molecular formula C18H13ClFNO3 and a molecular weight of 345.76 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid
PubChem CID67474725
Molecular FormulaC18H13ClFNO3
Molecular Weight345.76 g/mol
Exact Mass345.06
IUPAC Name2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClFNO3/c1-10-14(9-17(22)23)15-8-13(20)6-7-16(15)21(10)18(24)11-2-4-12(19)5-3-11/h2-8H,9H2,1H3,(H,22,23)
InChIKeyUEEDYBNIUXWFAP-UHFFFAOYSA-N
XLogP4.06
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid (CID 67474725) is 2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid?
The InChIKey is UEEDYBNIUXWFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3/c1-10-14(9-17(22)23)15-8-13(20)6-7-16(15)21(10)18(24)11-2-4-12(19)5-3-11/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid?
2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid has a molecular weight of 345.76 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 67474725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).