methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate

C18H15F2NO4 — CID 51338171

IUPACmethyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H15F2NO4/c1-24-17(23)12-6-7-14-11(10-12)8-9-21(14)16(22)13-4-2-3-5-15(13)25-18(19)20/h2-7,10,18H,8-9H2,1H3
InChIKeyNEFYLURHGGZLTL-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.28
Rot. Bonds4

About methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 51338171) has the molecular formula C18H15F2NO4 and a molecular weight of 347.32 g/mol. Its IUPAC name is methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate
PubChem CID51338171
Molecular FormulaC18H15F2NO4
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Namemethyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H15F2NO4/c1-24-17(23)12-6-7-14-11(10-12)8-9-21(14)16(22)13-4-2-3-5-15(13)25-18(19)20/h2-7,10,18H,8-9H2,1H3
InChIKeyNEFYLURHGGZLTL-UHFFFAOYSA-N
XLogP3.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 24526395
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate
CID 78873448
methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate
CID 55758876
methyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-2,3-dihydroindole-5-carboxylate
CID 55514242
dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
CID 173255270
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55871361
methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate
CID 134033414
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate (CID 51338171) is methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1OC(F)F.
What is the InChIKey of methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is NEFYLURHGGZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO4/c1-24-17(23)12-6-7-14-11(10-12)8-9-21(14)16(22)13-4-2-3-5-15(13)25-18(19)20/h2-7,10,18H,8-9H2,1H3.
What are the key properties of methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 347.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 51338171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).