2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone

C18H15ClFNO2 — CID 122689707

IUPAC2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone
SMILESCOc1cc(Cl)ccc1CC(=O)c1c[nH]c2cc(F)c(C)cc12
InChIInChI=1S/C18H15ClFNO2/c1-10-5-13-14(9-21-16(13)8-15(10)20)17(22)6-11-3-4-12(19)7-18(11)23-2/h3-5,7-9,21H,6H2,1-2H3
InChIKeyUIXRKRSPISEVSB-UHFFFAOYSA-N
MW331.77 g/mol
LogP4.70
Rot. Bonds4

About 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone

2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone (PubChem CID 122689707) has the molecular formula C18H15ClFNO2 and a molecular weight of 331.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone
PubChem CID122689707
Molecular FormulaC18H15ClFNO2
Molecular Weight331.77 g/mol
Exact Mass331.08
IUPAC Name2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone
SMILESCOc1cc(Cl)ccc1CC(=O)c1c[nH]c2cc(F)c(C)cc12
InChIInChI=1S/C18H15ClFNO2/c1-10-5-13-14(9-21-16(13)8-15(10)20)17(22)6-11-3-4-12(19)7-18(11)23-2/h3-5,7-9,21H,6H2,1-2H3
InChIKeyUIXRKRSPISEVSB-UHFFFAOYSA-N
XLogP4.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 122697808
2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
CID 122697814
1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
CID 161294319
1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 121255006
2-[2-(2-butoxyethoxy)-4-fluorophenyl]-1-(6-methoxy-5-methyl-1H-indol-3-yl)ethanone
CID 126706402
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 43163430
2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 121255014
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone
CID 907553
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 126697668
2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
CID 126714606

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone (CID 122689707) is 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone is COc1cc(Cl)ccc1CC(=O)c1c[nH]c2cc(F)c(C)cc12.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone?
The InChIKey is UIXRKRSPISEVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2/c1-10-5-13-14(9-21-16(13)8-15(10)20)17(22)6-11-3-4-12(19)7-18(11)23-2/h3-5,7-9,21H,6H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone?
2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone has a molecular weight of 331.77 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 122689707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).