1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide

C18H20FN3O — CID 171518254

IUPAC1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3(C#N)CCC3)cc2cc1F
InChIInChI=1S/C18H20FN3O/c1-11(2)14-8-16-12(7-15(14)19)6-13(22-16)9-21-17(23)18(10-20)4-3-5-18/h6-8,11,22H,3-5,9H2,1-2H3,(H,21,23)
InChIKeyVOVWUPCGYBSCQW-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.74
Rot. Bonds4

About 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide

1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 171518254) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID171518254
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3(C#N)CCC3)cc2cc1F
InChIInChI=1S/C18H20FN3O/c1-11(2)14-8-16-12(7-15(14)19)6-13(22-16)9-21-17(23)18(10-20)4-3-5-18/h6-8,11,22H,3-5,9H2,1-2H3,(H,21,23)
InChIKeyVOVWUPCGYBSCQW-UHFFFAOYSA-N
XLogP3.74
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 171731904
N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171731918
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183319
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide
CID 171519418
3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide
CID 171518789
1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2,2-difluoroethyl)urea
CID 171519675
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 171731786
N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide
CID 171519243
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
CID 171731951
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane
CID 171519771
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide (CID 171518254) is 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide is CC(C)c1cc2[nH]c(CNC(=O)C3(C#N)CCC3)cc2cc1F.
What is the InChIKey of 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is VOVWUPCGYBSCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-11(2)14-8-16-12(7-15(14)19)6-13(22-16)9-21-17(23)18(10-20)4-3-5-18/h6-8,11,22H,3-5,9H2,1-2H3,(H,21,23).
What are the key properties of 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide?
1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 171518254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).