1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide

C21H21FN2O3 — CID 113211110

IUPAC1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2(c3c[nH]c4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C21H21FN2O3/c1-26-15-3-5-16(6-4-15)27-11-10-23-20(25)21(8-9-21)18-13-24-19-12-14(22)2-7-17(18)19/h2-7,12-13,24H,8-11H2,1H3,(H,23,25)
InChIKeyWHDAKNYAWKMXCU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.54
Rot. Bonds7

About 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide

1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 113211110) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID113211110
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2(c3c[nH]c4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C21H21FN2O3/c1-26-15-3-5-16(6-4-15)27-11-10-23-20(25)21(8-9-21)18-13-24-19-12-14(22)2-7-17(18)19/h2-7,12-13,24H,8-11H2,1H3,(H,23,25)
InChIKeyWHDAKNYAWKMXCU-UHFFFAOYSA-N
XLogP3.54
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
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-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 110438432
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 113211162
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211175
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210743
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085349
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 113085336

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide (CID 113211110) is 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide is COc1ccc(OCCNC(=O)C2(c3c[nH]c4cc(F)ccc34)CC2)cc1.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is WHDAKNYAWKMXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-26-15-3-5-16(6-4-15)27-11-10-23-20(25)21(8-9-21)18-13-24-19-12-14(22)2-7-17(18)19/h2-7,12-13,24H,8-11H2,1H3,(H,23,25).
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 113211110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).