tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate

C20H21FN2O3 — CID 146150613

IUPACtert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)Nc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C20H21FN2O3/c1-20(2,3)26-19(25)23-12-16(15-9-4-5-10-17(15)23)18(24)22-14-8-6-7-13(21)11-14/h4-11,16H,12H2,1-3H3,(H,22,24)
InChIKeyLPMFBUPPCWEGRG-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.30
Rot. Bonds2

About tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate

tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 146150613) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
PubChem CID146150613
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Nametert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)Nc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C20H21FN2O3/c1-20(2,3)26-19(25)23-12-16(15-9-4-5-10-17(15)23)18(24)22-14-8-6-7-13(21)11-14/h4-11,16H,12H2,1-3H3,(H,22,24)
InChIKeyLPMFBUPPCWEGRG-UHFFFAOYSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
tert-butyl 3-(2-methoxyprop-2-enyl)-2,3-dihydroindole-1-carboxylate
CID 89073245
tert-butyl (3S)-3-(3-methoxy-3-oxopropyl)-2,3-dihydroindole-1-carboxylate
CID 102513493
tert-butyl 3-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 157028376
tert-butyl (3R)-3-(3-hydroxypropyl)-2,3-dihydroindole-1-carboxylate
CID 155903983
7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83763781
tert-butyl 3-hexyl-2,3-dihydroindole-1-carboxylate
CID 171661748
(3S)-N-(3-fluorophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350856
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 5-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
CID 90893433
tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate
CID 134972074
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 109150621

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate (CID 146150613) is tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(=O)Nc2cccc(F)c2)c2ccccc21.
What is the InChIKey of tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is LPMFBUPPCWEGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-20(2,3)26-19(25)23-12-16(15-9-4-5-10-17(15)23)18(24)22-14-8-6-7-13(21)11-14/h4-11,16H,12H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-fluorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 146150613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).