cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate

C23H23FN2O3 — CID 155093172

IUPACcyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate
SMILESO=C(OC1CC1)N1CCc2cc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21
InChIInChI=1S/C23H23FN2O3/c24-17-3-5-18(6-4-17)25-21(27)23(11-1-12-23)16-2-9-20-15(14-16)10-13-26(20)22(28)29-19-7-8-19/h2-6,9,14,19H,1,7-8,10-13H2,(H,25,27)
InChIKeyMKRAOPIUCCGVMW-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.55
Rot. Bonds4

About cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate

cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 155093172) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate
PubChem CID155093172
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Namecyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate
SMILESO=C(OC1CC1)N1CCc2cc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21
InChIInChI=1S/C23H23FN2O3/c24-17-3-5-18(6-4-17)25-21(27)23(11-1-12-23)16-2-9-20-15(14-16)10-13-26(20)22(28)29-19-7-8-19/h2-6,9,14,19H,1,7-8,10-13H2,(H,25,27)
InChIKeyMKRAOPIUCCGVMW-UHFFFAOYSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate (CID 155093172) is cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate is O=C(OC1CC1)N1CCc2cc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21.
What is the InChIKey of cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is MKRAOPIUCCGVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-17-3-5-18(6-4-17)25-21(27)23(11-1-12-23)16-2-9-20-15(14-16)10-13-26(20)22(28)29-19-7-8-19/h2-6,9,14,19H,1,7-8,10-13H2,(H,25,27).
What are the key properties of cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate?
cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 394.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 155093172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).