N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide

C17H21FN2O — CID 113084487

IUPACN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
SMILESCC(C)(CNC(=O)C1CCC1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H21FN2O/c1-17(2,10-20-16(21)11-4-3-5-11)14-9-19-15-8-12(18)6-7-13(14)15/h6-9,11,19H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyYSSUIGCKROQOTF-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide (PubChem CID 113084487) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
PubChem CID113084487
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
SMILESCC(C)(CNC(=O)C1CCC1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H21FN2O/c1-17(2,10-20-16(21)11-4-3-5-11)14-9-19-15-8-12(18)6-7-13(14)15/h6-9,11,19H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyYSSUIGCKROQOTF-UHFFFAOYSA-N
XLogP3.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)-2-methylpropyl]cyclohexanecarboxamide
CID 113084050
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084455
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084493
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
CID 113084495
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
CID 113084172
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 113084507
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide (CID 113084487) is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide is CC(C)(CNC(=O)C1CCC1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide?
The InChIKey is YSSUIGCKROQOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-17(2,10-20-16(21)11-4-3-5-11)14-9-19-15-8-12(18)6-7-13(14)15/h6-9,11,19H,3-5,10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide?
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide is sourced from PubChem (CID 113084487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).