4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one

C17H23FN2O2 — CID 10757042

IUPAC4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCC3CCCCC3)ccc(F)c2N1
InChIInChI=1S/C17H23FN2O2/c18-14-6-7-15(13-10-16(21)20-17(13)14)22-9-8-19-11-12-4-2-1-3-5-12/h6-7,12,19H,1-5,8-11H2,(H,20,21)
InChIKeyIWPODTZOHNIYFY-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.87
Rot. Bonds6

About 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one

4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 10757042) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one
PubChem CID10757042
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCC3CCCCC3)ccc(F)c2N1
InChIInChI=1S/C17H23FN2O2/c18-14-6-7-15(13-10-16(21)20-17(13)14)22-9-8-19-11-12-4-2-1-3-5-12/h6-7,12,19H,1-5,8-11H2,(H,20,21)
InChIKeyIWPODTZOHNIYFY-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one
CID 9903877
Aplindore
CID 158784
2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
CID 9883070
4-(2-Benzylamino-ethoxy)-7-chloro-1,3-dihydro-indol-2-one
CID 10313715
4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10520031
4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethoxy]-7-fluoro-1,3-dihydro-indol-2-one
CID 10592220
7-Fluoro-4-{2-[(thiophen-2-ylmethyl)-amino]-ethoxy}-1,3-dihydro-indol-2-one
CID 10638352
4-{2-[(Biphenyl-3-ylmethyl)-amino]-ethoxy}-7-fluoro-1,3-dihydro-indol-2-one
CID 10643240
4-[2-(Benzyl-methyl-amino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10661630
7-Fluoro-4-{2-[(thiophen-3-ylmethyl)-amino]-ethoxy}-1,3-dihydro-indol-2-one
CID 10662428
7-Chloro-4-[2-(4-methyl-benzylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10711537
4-(2-Benzylamino-ethoxy)-7-fluoro-1,3-dihydro-indol-2-one
CID 10732973

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one (CID 10757042) is 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNCC3CCCCC3)ccc(F)c2N1.
What is the InChIKey of 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is IWPODTZOHNIYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14-6-7-15(13-10-16(21)20-17(13)14)22-9-8-19-11-12-4-2-1-3-5-12/h6-7,12,19H,1-5,8-11H2,(H,20,21).
What are the key properties of 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 306.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylmethylamino)ethoxy]-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 10757042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).