1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide

C17H21FN2O — CID 113211115

IUPAC1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C17H21FN2O/c1-11(2)5-8-19-16(21)17(6-7-17)14-10-20-15-9-12(18)3-4-13(14)15/h3-4,9-11,20H,5-8H2,1-2H3,(H,19,21)
InChIKeyVQORMPAGDRSCQP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.50
Rot. Bonds5

About 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide

1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide (PubChem CID 113211115) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
PubChem CID113211115
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C17H21FN2O/c1-11(2)5-8-19-16(21)17(6-7-17)14-10-20-15-9-12(18)3-4-13(14)15/h3-4,9-11,20H,5-8H2,1-2H3,(H,19,21)
InChIKeyVQORMPAGDRSCQP-UHFFFAOYSA-N
XLogP3.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
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

1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 113211109
1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 113211110
1-(6-fluoro-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 113211055
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208619
1-(6-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113211076
1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 113211163
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211175

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide (CID 113211115) is 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide is CC(C)CCNC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The InChIKey is VQORMPAGDRSCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11(2)5-8-19-16(21)17(6-7-17)14-10-20-15-9-12(18)3-4-13(14)15/h3-4,9-11,20H,5-8H2,1-2H3,(H,19,21).
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide?
1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).