5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide

C19H17F2N3O2 — CID 167504458

IUPAC5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2c(F)cc3[nH]ccc3c2C=COCC)ccc1F
InChIInChI=1S/C19H17F2N3O2/c1-2-25-8-6-13-12-5-7-24-17(12)10-16(21)18(13)26-11-3-4-15(20)14(9-11)19(22)23/h3-10,24H,2H2,1H3,(H3,22,23)
InChIKeySJSVWRZBPXWLKW-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.53
Rot. Bonds6

About 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide

5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide (PubChem CID 167504458) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
PubChem CID167504458
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2c(F)cc3[nH]ccc3c2C=COCC)ccc1F
InChIInChI=1S/C19H17F2N3O2/c1-2-25-8-6-13-12-5-7-24-17(12)10-16(21)18(13)26-11-3-4-15(20)14(9-11)19(22)23/h3-10,24H,2H2,1H3,(H3,22,23)
InChIKeySJSVWRZBPXWLKW-UHFFFAOYSA-N
XLogP4.53
TPSA84.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(2,2-difluoroethyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 167504472
5-[[4-(azidomethyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 171076713
methyl 3-[5-(3-carbamimidoyl-4-fluorophenoxy)-6-fluoro-1H-indol-4-yl]-2,2-dimethylpropanoate
CID 171078351
5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide
CID 171077936
1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone
CID 171078931
methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate
CID 167504860
3-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]benzenecarbothioamide
CID 171077473
3-[[6-fluoro-4-(1,3-thiazol-2-yl)-1H-indol-5-yl]oxy]benzenecarboximidamide
CID 167504756
5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole
CID 167505847
ethyl 2-[6-fluoro-5-[[2-(C-methylsulfanylcarbonimidoyl)-4-pyridinyl]oxy]-1H-indol-4-yl]acetate
CID 171078591
4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile
CID 171078652

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide?
The IUPAC name of 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide (CID 167504458) is 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide?
The canonical SMILES for 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(Oc2c(F)cc3[nH]ccc3c2C=COCC)ccc1F.
What is the InChIKey of 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide?
The InChIKey is SJSVWRZBPXWLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-2-25-8-6-13-12-5-7-24-17(12)10-16(21)18(13)26-11-3-4-15(20)14(9-11)19(22)23/h3-10,24H,2H2,1H3,(H3,22,23).
What are the key properties of 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide?
5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide has a molecular weight of 357.36 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-ethoxyethenyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 167504458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).