2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid

C17H18FNO4 — CID 67243595

IUPAC2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid
SMILESCOc1cc2c(CC(=O)O)c(C)n(C(=O)C3CCC3)c2cc1F
InChIInChI=1S/C17H18FNO4/c1-9-11(7-16(20)21)12-6-15(23-2)13(18)8-14(12)19(9)17(22)10-4-3-5-10/h6,8,10H,3-5,7H2,1-2H3,(H,20,21)
InChIKeyZLXBEWJJJZYVIQ-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.16
Rot. Bonds4

About 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid

2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid (PubChem CID 67243595) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid
PubChem CID67243595
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid
SMILESCOc1cc2c(CC(=O)O)c(C)n(C(=O)C3CCC3)c2cc1F
InChIInChI=1S/C17H18FNO4/c1-9-11(7-16(20)21)12-6-15(23-2)13(18)8-14(12)19(9)17(22)10-4-3-5-10/h6,8,10H,3-5,7H2,1-2H3,(H,20,21)
InChIKeyZLXBEWJJJZYVIQ-UHFFFAOYSA-N
XLogP3.16
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-cyanobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453572
2-[1-(2-chloro-2,3-dihydrothiophene-5-carbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid
CID 89140604
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 18453961
2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 67244274
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]indol-3-yl]acetic acid
CID 18453950
cyclobutyl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]acetate
CID 91047057
2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 67244825
2-[5-hydroxy-2-methyl-1-(thiane-4-carbonyl)indol-3-yl]acetic acid
CID 67246078
2-[6-chloro-1-(5-fluorothiophene-3-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453737
2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487790
propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 90827726
propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 90753955

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid (CID 67243595) is 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid is COc1cc2c(CC(=O)O)c(C)n(C(=O)C3CCC3)c2cc1F.
What is the InChIKey of 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid?
The InChIKey is ZLXBEWJJJZYVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-9-11(7-16(20)21)12-6-15(23-2)13(18)8-14(12)19(9)17(22)10-4-3-5-10/h6,8,10H,3-5,7H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid?
2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid has a molecular weight of 319.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutanecarbonyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 67243595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).