N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide

C17H21FN2O — CID 113083574

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)C1CCCCC1
InChIInChI=1S/C17H21FN2O/c18-14-6-7-16-15(10-14)13(11-20-16)8-9-19-17(21)12-4-2-1-3-5-12/h6-7,10-12,20H,1-5,8-9H2,(H,19,21)
InChIKeyMPMQLUKBVJOXGM-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.55
Rot. Bonds4

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide (PubChem CID 113083574) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
PubChem CID113083574
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)C1CCCCC1
InChIInChI=1S/C17H21FN2O/c18-14-6-7-16-15(10-14)13(11-20-16)8-9-19-17(21)12-4-2-1-3-5-12/h6-7,10-12,20H,1-5,8-9H2,(H,19,21)
InChIKeyMPMQLUKBVJOXGM-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014659
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557184
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 133108766
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 111423653
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide (CID 113083574) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)C1CCCCC1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is MPMQLUKBVJOXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-14-6-7-16-15(10-14)13(11-20-16)8-9-19-17(21)12-4-2-1-3-5-12/h6-7,10-12,20H,1-5,8-9H2,(H,19,21).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113083574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).