N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide

C17H19FN2O2 — CID 68518870

IUPACN-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCC1CCCCC1)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H19FN2O2/c18-12-6-7-13-14(10-19-15(13)8-12)16(21)17(22)20-9-11-4-2-1-3-5-11/h6-8,10-11,19H,1-5,9H2,(H,20,22)
InChIKeyNXINWDGZWCLGKU-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.19
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide

N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 68518870) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID68518870
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCC1CCCCC1)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H19FN2O2/c18-12-6-7-13-14(10-19-15(13)8-12)16(21)17(22)20-9-11-4-2-1-3-5-11/h6-8,10-11,19H,1-5,9H2,(H,20,22)
InChIKeyNXINWDGZWCLGKU-UHFFFAOYSA-N
XLogP3.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208619
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
2-(6-fluoro-1H-indol-3-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 113208583
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
2-cyclopentyl-N-[1-(6-fluoro-1H-indole-3-carbonyl)piperidin-4-yl]acetamide
CID 126779852
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208640
N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208671

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 68518870) is N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is O=C(NCC1CCCCC1)C(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is NXINWDGZWCLGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-12-6-7-13-14(10-19-15(13)8-12)16(21)17(22)20-9-11-4-2-1-3-5-11/h6-8,10-11,19H,1-5,9H2,(H,20,22).
What are the key properties of N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 302.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 68518870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).