tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate

C20H20FNO3 — CID 166807948

IUPACtert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate
SMILESCc1ccccc1[C@H]1C(=O)N(C(=O)OC(C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C20H20FNO3/c1-12-7-5-6-8-14(12)17-15-11-13(21)9-10-16(15)22(18(17)23)19(24)25-20(2,3)4/h5-11,17H,1-4H3/t17-/m1/s1
InChIKeyZLGANCIMYTURDI-QGZVFWFLSA-N
MW341.38 g/mol
LogP4.55
Rot. Bonds1

About tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate

tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate (PubChem CID 166807948) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate
PubChem CID166807948
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Nametert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate
SMILESCc1ccccc1[C@H]1C(=O)N(C(=O)OC(C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C20H20FNO3/c1-12-7-5-6-8-14(12)17-15-11-13(21)9-10-16(15)22(18(17)23)19(24)25-20(2,3)4/h5-11,17H,1-4H3/t17-/m1/s1
InChIKeyZLGANCIMYTURDI-QGZVFWFLSA-N
XLogP4.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(3,5-dimethylphenyl)-5-methyl-2-oxo-3H-indole-1-carboxylate
CID 139259427
tert-butyl 2-oxo-3-[3-(trifluoromethyl)phenyl]-3H-indole-1-carboxylate
CID 164672807
tert-butyl (3S)-3-benzyl-6-fluoro-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 134951169
tert-butyl 3-(4-butylcyclohexanecarbonyl)-5-fluoro-2-oxo-3H-indole-1-carboxylate
CID 118321688
tert-butyl 3-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-5-fluoro-2-oxo-3-phenylindole-1-carboxylate
CID 139259450
tert-butyl 3-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-oxo-3H-indole-1-carboxylate
CID 71739998
tert-butyl 3-fluoro-2-oxo-5-(trifluoromethyl)-3H-indole-1-carboxylate
CID 135072984
tert-butyl 9-nitroso-9H-acridine-10-carboxylate
CID 102127033
tert-butyl (3R)-3-bromo-3-[(1S)-1-bromo-2-methoxy-2-oxoethyl]-5-fluoro-2-oxoindole-1-carboxylate
CID 135066143
tert-butyl (3S)-3-amino-4-(4-fluoro-2-methylphenyl)pyrrolidine-1-carboxylate
CID 155346444
tert-butyl 3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepine-1-carboxylate
CID 67658000
tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate
CID 164551205

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate?
The IUPAC name of tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate (CID 166807948) is tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate is Cc1ccccc1[C@H]1C(=O)N(C(=O)OC(C)(C)C)c2ccc(F)cc21.
What is the InChIKey of tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate?
The InChIKey is ZLGANCIMYTURDI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-12-7-5-6-8-14(12)17-15-11-13(21)9-10-16(15)22(18(17)23)19(24)25-20(2,3)4/h5-11,17H,1-4H3/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate?
tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate has a molecular weight of 341.38 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-5-fluoro-3-(2-methylphenyl)-2-oxo-3H-indole-1-carboxylate is sourced from PubChem (CID 166807948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).