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

C21H21FN2O — CID 113211109

IUPAC1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCc1ccccc1)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H21FN2O/c22-16-8-9-17-18(14-24-19(17)13-16)21(10-11-21)20(25)23-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14,24H,4,7,10-12H2,(H,23,25)
InChIKeyRJXFPQDBPVYVEG-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.09
Rot. Bonds6

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

1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide (PubChem CID 113211109) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
PubChem CID113211109
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCc1ccccc1)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H21FN2O/c22-16-8-9-17-18(14-24-19(17)13-16)21(10-11-21)20(25)23-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14,24H,4,7,10-12H2,(H,23,25)
InChIKeyRJXFPQDBPVYVEG-UHFFFAOYSA-N
XLogP4.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 113211115
1-(6-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113211076
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
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-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 113211110
N-benzyl-1-(6-fluoro-1H-indol-3-yl)-N-methylcyclopropane-1-carboxamide
CID 113211067
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113085407
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
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-phenylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide (CID 113211109) is 1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide is O=C(NCCCc1ccccc1)C1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The InChIKey is RJXFPQDBPVYVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-16-8-9-17-18(14-24-19(17)13-16)21(10-11-21)20(25)23-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14,24H,4,7,10-12H2,(H,23,25).
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 4.09, 6 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-phenylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).