7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one

C21H22FN3O2 — CID 10618968

IUPAC7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCCCc3c[nH]c4ccccc34)ccc(F)c2N1
InChIInChI=1S/C21H22FN3O2/c22-17-7-8-19(16-12-20(26)25-21(16)17)27-11-10-23-9-3-4-14-13-24-18-6-2-1-5-15(14)18/h1-2,5-8,13,23-24H,3-4,9-12H2,(H,25,26)
InChIKeyRTTDUHNRPAYWKJ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.40
Rot. Bonds8

About 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one

7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10618968) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one
PubChem CID10618968
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCCCc3c[nH]c4ccccc34)ccc(F)c2N1
InChIInChI=1S/C21H22FN3O2/c22-17-7-8-19(16-12-20(26)25-21(16)17)27-11-10-23-9-3-4-14-13-24-18-6-2-1-5-15(14)18/h1-2,5-8,13,23-24H,3-4,9-12H2,(H,25,26)
InChIKeyRTTDUHNRPAYWKJ-UHFFFAOYSA-N
XLogP3.40
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428
N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide
CID 18170635
3-fluoro-N-[3-(1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806755
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
CID 119125508
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
3-(1H-indol-3-yl)propyl dihydrogen phosphate
CID 3713
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
8-(1H-indol-3-yl)octan-1-amine
CID 57188115

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one (CID 10618968) is 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNCCCc3c[nH]c4ccccc34)ccc(F)c2N1.
What is the InChIKey of 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is RTTDUHNRPAYWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-17-7-8-19(16-12-20(26)25-21(16)17)27-11-10-23-9-3-4-14-13-24-18-6-2-1-5-15(14)18/h1-2,5-8,13,23-24H,3-4,9-12H2,(H,25,26).
What are the key properties of 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one?
7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 367.42 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[2-[3-(1H-indol-3-yl)propylamino]ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10618968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).