7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole

C17H15ClFNO — CID 117184143

IUPAC7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole
SMILESCCn1c(COc2ccccc2F)cc2cccc(Cl)c21
InChIInChI=1S/C17H15ClFNO/c1-2-20-13(10-12-6-5-7-14(18)17(12)20)11-21-16-9-4-3-8-15(16)19/h3-10H,2,11H2,1H3
InChIKeyAXUYADRZBXQMFZ-UHFFFAOYSA-N
MW303.76 g/mol
LogP5.03
Rot. Bonds4

About 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole

7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole (PubChem CID 117184143) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole.

Molecular Properties

Compound Name7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole
PubChem CID117184143
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole
SMILESCCn1c(COc2ccccc2F)cc2cccc(Cl)c21
InChIInChI=1S/C17H15ClFNO/c1-2-20-13(10-12-6-5-7-14(18)17(12)20)11-21-16-9-4-3-8-15(16)19/h3-10H,2,11H2,1H3
InChIKeyAXUYADRZBXQMFZ-UHFFFAOYSA-N
XLogP5.03
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.76
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
CID 117184270
7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
CID 117183717
1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole
CID 117180685
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol
CID 117176717
5-chloro-2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255731
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol
CID 117177231
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole?
The IUPAC name of 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole (CID 117184143) is 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole.
What is the SMILES notation for 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole?
The canonical SMILES for 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole is CCn1c(COc2ccccc2F)cc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole?
The InChIKey is AXUYADRZBXQMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-2-20-13(10-12-6-5-7-14(18)17(12)20)11-21-16-9-4-3-8-15(16)19/h3-10H,2,11H2,1H3.
What are the key properties of 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole?
7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole has a molecular weight of 303.76 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole is sourced from PubChem (CID 117184143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).