2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide

C18H21FN2O2 — CID 66891530

IUPAC2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C=C1C(=O)N(CC2CCCC2)c2c(F)cccc21
InChIInChI=1S/C18H21FN2O2/c1-20(2)16(22)10-14-13-8-5-9-15(19)17(13)21(18(14)23)11-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7,11H2,1-2H3
InChIKeyQAWADTLABORWRL-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.83
Rot. Bonds3

About 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide

2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide (PubChem CID 66891530) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide
PubChem CID66891530
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C=C1C(=O)N(CC2CCCC2)c2c(F)cccc21
InChIInChI=1S/C18H21FN2O2/c1-20(2)16(22)10-14-13-8-5-9-15(19)17(13)21(18(14)23)11-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7,11H2,1-2H3
InChIKeyQAWADTLABORWRL-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide (CID 66891530) is 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide is CN(C)C(=O)C=C1C(=O)N(CC2CCCC2)c2c(F)cccc21.
What is the InChIKey of 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide?
The InChIKey is QAWADTLABORWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-20(2)16(22)10-14-13-8-5-9-15(19)17(13)21(18(14)23)11-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7,11H2,1-2H3.
What are the key properties of 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide?
2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide has a molecular weight of 316.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide is sourced from PubChem (CID 66891530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).