N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide

C18H21FN2O — CID 113209364

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)NCCC1=CCCCC1
InChIInChI=1S/C18H21FN2O/c19-15-6-7-16-14(12-21-17(16)11-15)10-18(22)20-9-8-13-4-2-1-3-5-13/h4,6-7,11-12,21H,1-3,5,8-10H2,(H,20,22)
InChIKeyBERNGYKSMPJRGO-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide (PubChem CID 113209364) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
PubChem CID113209364
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)NCCC1=CCCCC1
InChIInChI=1S/C18H21FN2O/c19-15-6-7-16-14(12-21-17(16)11-15)10-18(22)20-9-8-13-4-2-1-3-5-13/h4,6-7,11-12,21H,1-3,5,8-10H2,(H,20,22)
InChIKeyBERNGYKSMPJRGO-UHFFFAOYSA-N
XLogP3.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210295
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111464495
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195721
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109014834
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86944940
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide (CID 113209364) is N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2cc(F)ccc12)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is BERNGYKSMPJRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-15-6-7-16-14(12-21-17(16)11-15)10-18(22)20-9-8-13-4-2-1-3-5-13/h4,6-7,11-12,21H,1-3,5,8-10H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113209364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).