N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide

C20H21FN2O — CID 142580555

IUPACN-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
SMILESCN1CCc2cc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21
InChIInChI=1S/C20H21FN2O/c1-23-12-9-14-13-15(3-8-18(14)23)20(10-2-11-20)19(24)22-17-6-4-16(21)5-7-17/h3-8,13H,2,9-12H2,1H3,(H,22,24)
InChIKeyBGZNSIXNBLJPAA-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.88
Rot. Bonds3

About N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide

N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide (PubChem CID 142580555) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
PubChem CID142580555
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
SMILESCN1CCc2cc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21
InChIInChI=1S/C20H21FN2O/c1-23-12-9-14-13-15(3-8-18(14)23)20(10-2-11-20)19(24)22-17-6-4-16(21)5-7-17/h3-8,13H,2,9-12H2,1H3,(H,22,24)
InChIKeyBGZNSIXNBLJPAA-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide (CID 142580555) is N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide is CN1CCc2cc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is BGZNSIXNBLJPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-23-12-9-14-13-15(3-8-18(14)23)20(10-2-11-20)19(24)22-17-6-4-16(21)5-7-17/h3-8,13H,2,9-12H2,1H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide?
N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 142580555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).