(2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide

C16H17FN2O2 — CID 46890000

IUPAC(2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide
SMILESNC(=O)/C=C1/C(=O)N(CC2CCCC2)c2c(F)cccc21
InChIInChI=1S/C16H17FN2O2/c17-13-7-3-6-11-12(8-14(18)20)16(21)19(15(11)13)9-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H2,18,20)/b12-8+
InChIKeyUNUCSCOAXFLFMO-XYOKQWHBSA-N
MW288.32 g/mol
LogP2.23
Rot. Bonds3

About (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide

(2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide (PubChem CID 46890000) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide
PubChem CID46890000
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide
SMILESNC(=O)/C=C1/C(=O)N(CC2CCCC2)c2c(F)cccc21
InChIInChI=1S/C16H17FN2O2/c17-13-7-3-6-11-12(8-14(18)20)16(21)19(15(11)13)9-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H2,18,20)/b12-8+
InChIKeyUNUCSCOAXFLFMO-XYOKQWHBSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
Asp7663
CID 44232532
Supercinnamaldehyde
CID 12480412
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 5353593
Super cinnamaldehyde
CID 12480411
2,3-Dihydroindol-1-yl-(2-fluorophenyl)methanone
CID 579820
3-(4-Dimethylaminobenzylidenyl)-2-indolinone
CID 3135
N-cyclopentyl-2-hydroxy-4-quinolinecarboxamide
CID 3617220
N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 4883815
2,3-Dihydroindol-1-yl-(3-fluorophenyl)methanone
CID 807954
3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-methyl-1,3-dihydro-indol-2-one
CID 5293755
3-{4-[4-(4-Fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11646336

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide?
The IUPAC name of (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide (CID 46890000) is (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide.
What is the SMILES notation for (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide?
The canonical SMILES for (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide is NC(=O)/C=C1/C(=O)N(CC2CCCC2)c2c(F)cccc21.
What is the InChIKey of (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide?
The InChIKey is UNUCSCOAXFLFMO-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-7-3-6-11-12(8-14(18)20)16(21)19(15(11)13)9-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H2,18,20)/b12-8+.
What are the key properties of (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide?
(2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide has a molecular weight of 288.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]acetamide is sourced from PubChem (CID 46890000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).