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2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C33H35F2NO5 — CID 153431222

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1ccc(F)cc1C(=O)N1CCc2c1cc(C)c(C(OC(C)(C)C)C(=O)O)c2-c1cc(F)c2c(c1C)CCCO2
InChIInChI=1S/C33H35F2NO5/c1-17-9-10-20(34)15-23(17)31(37)36-12-11-22-26(36)14-18(2)27(30(32(38)39)41-33(4,5)6)28(22)24-16-25(35)29-21(19(24)3)8-7-13-40-29/h9-10,14-16,30H,7-8,11-13H2,1-6H3,(H,38,39)
InChIKeySHMCCAVGYQBIRM-UHFFFAOYSA-N
MW563.64 g/mol
LogP7.03
Rot. Bonds5

About 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 153431222) has the molecular formula C33H35F2NO5 and a molecular weight of 563.64 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID153431222
Molecular FormulaC33H35F2NO5
Molecular Weight563.64 g/mol
Exact Mass563.25
IUPAC Name2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1ccc(F)cc1C(=O)N1CCc2c1cc(C)c(C(OC(C)(C)C)C(=O)O)c2-c1cc(F)c2c(c1C)CCCO2
InChIInChI=1S/C33H35F2NO5/c1-17-9-10-20(34)15-23(17)31(37)36-12-11-22-26(36)14-18(2)27(30(32(38)39)41-33(4,5)6)28(22)24-16-25(35)29-21(19(24)3)8-7-13-40-29/h9-10,14-16,30H,7-8,11-13H2,1-6H3,(H,38,39)
InChIKeySHMCCAVGYQBIRM-UHFFFAOYSA-N
XLogP7.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.64
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 153431222) is 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1ccc(F)cc1C(=O)N1CCc2c1cc(C)c(C(OC(C)(C)C)C(=O)O)c2-c1cc(F)c2c(c1C)CCCO2.
What is the InChIKey of 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is SHMCCAVGYQBIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F2NO5/c1-17-9-10-20(34)15-23(17)31(37)36-12-11-22-26(36)14-18(2)27(30(32(38)39)41-33(4,5)6)28(22)24-16-25(35)29-21(19(24)3)8-7-13-40-29/h9-10,14-16,30H,7-8,11-13H2,1-6H3,(H,38,39).
What are the key properties of 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 563.64 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 153431222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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