7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile

C19H17FN2O — CID 126210727

IUPAC7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile
SMILESCCc1cccc2c(C#N)cn(CCOc3ccc(F)cc3)c12
InChIInChI=1S/C19H17FN2O/c1-2-14-4-3-5-18-15(12-21)13-22(19(14)18)10-11-23-17-8-6-16(20)7-9-17/h3-9,13H,2,10-11H2,1H3
InChIKeyHNZHMSNCMFEMFF-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.29
Rot. Bonds5

About 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile

7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile (PubChem CID 126210727) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile.

Molecular Properties

Compound Name7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile
PubChem CID126210727
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile
SMILESCCc1cccc2c(C#N)cn(CCOc3ccc(F)cc3)c12
InChIInChI=1S/C19H17FN2O/c1-2-14-4-3-5-18-15(12-21)13-22(19(14)18)10-11-23-17-8-6-16(20)7-9-17/h3-9,13H,2,10-11H2,1H3
InChIKeyHNZHMSNCMFEMFF-UHFFFAOYSA-N
XLogP4.29
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-7-ethylindol-1-yl)acetamide
CID 900742
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
CID 117182232
2-[7-ethyl-3-[(Z)-[3-[2-(4-fluorophenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 126136749
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727
2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 99831528
3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile
CID 89488521
N-benzyl-2-cyano-3-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]prop-2-enamide
CID 171131694
1-(4-propoxybenzoyl)indole-3-carbonitrile
CID 91689446
1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
CID 58968242
2-[3-(4-ethylphenoxy)propoxy]benzonitrile
CID 43289370
1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone
CID 21380867
methyl 5-cyano-6-oxo-1-[2-(4-propoxyphenoxy)ethyl]pyridine-3-carboxylate
CID 55537711

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile?
The IUPAC name of 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile (CID 126210727) is 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile.
What is the SMILES notation for 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile?
The canonical SMILES for 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile is CCc1cccc2c(C#N)cn(CCOc3ccc(F)cc3)c12.
What is the InChIKey of 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile?
The InChIKey is HNZHMSNCMFEMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-2-14-4-3-5-18-15(12-21)13-22(19(14)18)10-11-23-17-8-6-16(20)7-9-17/h3-9,13H,2,10-11H2,1H3.
What are the key properties of 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile?
7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile has a molecular weight of 308.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile is sourced from PubChem (CID 126210727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).