2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone

C19H15ClF3NO3 — CID 122697814

IUPAC2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
SMILESCOc1cc(Cl)ccc1CC(=O)c1c[nH]c2c(C)cc(OC(F)(F)F)cc12
InChIInChI=1S/C19H15ClF3NO3/c1-10-5-13(27-19(21,22)23)8-14-15(9-24-18(10)14)16(25)6-11-3-4-12(20)7-17(11)26-2/h3-5,7-9,24H,6H2,1-2H3
InChIKeyHPJNALRSNVNQFQ-UHFFFAOYSA-N
MW397.78 g/mol
LogP5.46
Rot. Bonds5

About 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone

2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone (PubChem CID 122697814) has the molecular formula C19H15ClF3NO3 and a molecular weight of 397.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
PubChem CID122697814
Molecular FormulaC19H15ClF3NO3
Molecular Weight397.78 g/mol
Exact Mass397.07
IUPAC Name2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
SMILESCOc1cc(Cl)ccc1CC(=O)c1c[nH]c2c(C)cc(OC(F)(F)F)cc12
InChIInChI=1S/C19H15ClF3NO3/c1-10-5-13(27-19(21,22)23)8-14-15(9-24-18(10)14)16(25)6-11-3-4-12(20)7-17(11)26-2/h3-5,7-9,24H,6H2,1-2H3
InChIKeyHPJNALRSNVNQFQ-UHFFFAOYSA-N
XLogP5.46
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.78
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
CID 126714606
2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone
CID 122689707
2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 122697808
1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 121255006
N-[1-(4-chloro-2-methoxyphenyl)-2-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-3-methoxy-5-methylsulfonylaniline
CID 145185590
2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 121255014
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
[3-[2-(4-chloro-2-methoxyphenyl)acetyl]-6-fluoro-5-(trifluoromethyl)indol-1-yl] thiohypoiodite
CID 145375565
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 126697668
2-(4-chloro-2-methoxyphenyl)-1-(5-fluoro-7-methyl-1H-indol-3-yl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 121255142

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone (CID 122697814) is 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone is COc1cc(Cl)ccc1CC(=O)c1c[nH]c2c(C)cc(OC(F)(F)F)cc12.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone?
The InChIKey is HPJNALRSNVNQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NO3/c1-10-5-13(27-19(21,22)23)8-14-15(9-24-18(10)14)16(25)6-11-3-4-12(20)7-17(11)26-2/h3-5,7-9,24H,6H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone?
2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone has a molecular weight of 397.78 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 122697814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).