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

C20H17ClF3NO4 — CID 126714606

IUPAC2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
SMILESCc1cc(OC(F)(F)F)cc2c(C(=O)Cc3ccc(Cl)cc3OCCO)c[nH]c12
InChIInChI=1S/C20H17ClF3NO4/c1-11-6-14(29-20(22,23)24)9-15-16(10-25-19(11)15)17(27)7-12-2-3-13(21)8-18(12)28-5-4-26/h2-3,6,8-10,25-26H,4-5,7H2,1H3
InChIKeyQNVONNVRCTUFAS-UHFFFAOYSA-N
MW427.81 g/mol
LogP4.82
Rot. Bonds7

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

2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone (PubChem CID 126714606) has the molecular formula C20H17ClF3NO4 and a molecular weight of 427.81 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
PubChem CID126714606
Molecular FormulaC20H17ClF3NO4
Molecular Weight427.81 g/mol
Exact Mass427.08
IUPAC Name2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
SMILESCc1cc(OC(F)(F)F)cc2c(C(=O)Cc3ccc(Cl)cc3OCCO)c[nH]c12
InChIInChI=1S/C20H17ClF3NO4/c1-11-6-14(29-20(22,23)24)9-15-16(10-25-19(11)15)17(27)7-12-2-3-13(21)8-18(12)28-5-4-26/h2-3,6,8-10,25-26H,4-5,7H2,1H3
InChIKeyQNVONNVRCTUFAS-UHFFFAOYSA-N
XLogP4.82
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.81
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone
CID 126706430
N-[1-(4-chloro-2-methoxyphenyl)-2-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-3-methoxy-5-methylsulfonylaniline
CID 145185590
1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 121255006
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82495967
2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 121255014
2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-(6-fluoro-7-methyl-1H-indol-3-yl)-2-(3-methoxy-5-methylsulfonylanilino)ethanone;methane
CID 162018278

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone?
The IUPAC name of 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone (CID 126714606) is 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone?
The canonical SMILES for 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone is Cc1cc(OC(F)(F)F)cc2c(C(=O)Cc3ccc(Cl)cc3OCCO)c[nH]c12.
What is the InChIKey of 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone?
The InChIKey is QNVONNVRCTUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3NO4/c1-11-6-14(29-20(22,23)24)9-15-16(10-25-19(11)15)17(27)7-12-2-3-13(21)8-18(12)28-5-4-26/h2-3,6,8-10,25-26H,4-5,7H2,1H3.
What are the key properties of 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone?
2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone has a molecular weight of 427.81 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 126714606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).