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

C20H17FN2O2 — CID 10640595

IUPAC7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNc3ccc4ccccc4c3)ccc(F)c2N1
InChIInChI=1S/C20H17FN2O2/c21-17-7-8-18(16-12-19(24)23-20(16)17)25-10-9-22-15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11,22H,9-10,12H2,(H,23,24)
InChIKeySHSCMNFGMPWQKM-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.96
Rot. Bonds5

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

7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10640595) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one
PubChem CID10640595
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNc3ccc4ccccc4c3)ccc(F)c2N1
InChIInChI=1S/C20H17FN2O2/c21-17-7-8-18(16-12-19(24)23-20(16)17)25-10-9-22-15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11,22H,9-10,12H2,(H,23,24)
InChIKeySHSCMNFGMPWQKM-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one (CID 10640595) is 7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNc3ccc4ccccc4c3)ccc(F)c2N1.
What is the InChIKey of 7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is SHSCMNFGMPWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-17-7-8-18(16-12-19(24)23-20(16)17)25-10-9-22-15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11,22H,9-10,12H2,(H,23,24).
What are the key properties of 7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one?
7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 336.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[2-(naphthalen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10640595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).