N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide

C19H20N2O — CID 112986213

IUPACN-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCc3ccccc32)cc1)C1CCC1
InChIInChI=1S/C19H20N2O/c22-19(15-5-3-6-15)20-16-8-10-17(11-9-16)21-13-12-14-4-1-2-7-18(14)21/h1-2,4,7-11,15H,3,5-6,12-13H2,(H,20,22)
InChIKeyAAZZJVVCJHMHHG-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.12
Rot. Bonds3

About N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide

N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide (PubChem CID 112986213) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
PubChem CID112986213
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCc3ccccc32)cc1)C1CCC1
InChIInChI=1S/C19H20N2O/c22-19(15-5-3-6-15)20-16-8-10-17(11-9-16)21-13-12-14-4-1-2-7-18(14)21/h1-2,4,7-11,15H,3,5-6,12-13H2,(H,20,22)
InChIKeyAAZZJVVCJHMHHG-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide (CID 112986213) is N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(N2CCc3ccccc32)cc1)C1CCC1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide?
The InChIKey is AAZZJVVCJHMHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19(15-5-3-6-15)20-16-8-10-17(11-9-16)21-13-12-14-4-1-2-7-18(14)21/h1-2,4,7-11,15H,3,5-6,12-13H2,(H,20,22).
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide?
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 112986213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).