7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole

C17H18FNO — CID 3404384

IUPAC7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC(c1ccc(OC)c(F)c1)C2
InChIInChI=1S/C17H18FNO/c1-3-11-5-4-6-13-10-15(19-17(11)13)12-7-8-16(20-2)14(18)9-12/h4-9,15,19H,3,10H2,1-2H3
InChIKeyGWMSXTBAFWWOLI-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.11
Rot. Bonds3

About 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole

7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole (PubChem CID 3404384) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
PubChem CID3404384
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC(c1ccc(OC)c(F)c1)C2
InChIInChI=1S/C17H18FNO/c1-3-11-5-4-6-13-10-15(19-17(11)13)12-7-8-16(20-2)14(18)9-12/h4-9,15,19H,3,10H2,1-2H3
InChIKeyGWMSXTBAFWWOLI-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
CID 3345458
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986
2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3347331
2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3910752
2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
CID 3403694
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one
CID 81415947
7-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 22759546
5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4311958
2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3984068
5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
3-(3-fluoro-4-methoxyphenyl)-5-methyl-1,4-thiazepane 1-oxide
CID 66232634
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide
CID 66231238

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole (CID 3404384) is 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole is CCc1cccc2c1NC(c1ccc(OC)c(F)c1)C2.
What is the InChIKey of 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
The InChIKey is GWMSXTBAFWWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-3-11-5-4-6-13-10-15(19-17(11)13)12-7-8-16(20-2)14(18)9-12/h4-9,15,19H,3,10H2,1-2H3.
What are the key properties of 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole has a molecular weight of 271.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3404384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).