N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide

C20H19FN2O — CID 113211067

IUPACN-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C20H19FN2O/c1-23(13-14-5-3-2-4-6-14)19(24)20(9-10-20)17-12-22-18-11-15(21)7-8-16(17)18/h2-8,11-12,22H,9-10,13H2,1H3
InChIKeyYYXCPZWSGQWFOY-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.00
Rot. Bonds4

About N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide

N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide (PubChem CID 113211067) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide
PubChem CID113211067
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC NameN-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C20H19FN2O/c1-23(13-14-5-3-2-4-6-14)19(24)20(9-10-20)17-12-22-18-11-15(21)7-8-16(17)18/h2-8,11-12,22H,9-10,13H2,1H3
InChIKeyYYXCPZWSGQWFOY-UHFFFAOYSA-N
XLogP4.00
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
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
N-benzyl-1-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 110436719
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 113211115
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
1-(6-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113211076
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211175
1-(6-fluoro-1H-indol-3-yl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 113211163

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide (CID 113211067) is N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide is CN(Cc1ccccc1)C(=O)C1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is YYXCPZWSGQWFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-23(13-14-5-3-2-4-6-14)19(24)20(9-10-20)17-12-22-18-11-15(21)7-8-16(17)18/h2-8,11-12,22H,9-10,13H2,1H3.
What are the key properties of N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide?
N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 113211067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).