(2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone

C22H17Cl2F3N2O2 — CID 23288139

IUPAC(2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone
SMILESCN1CC=C(c2cn(C(=O)c3c(Cl)cccc3Cl)c3ccc(OC(F)(F)F)cc23)CC1
InChIInChI=1S/C22H17Cl2F3N2O2/c1-28-9-7-13(8-10-28)16-12-29(21(30)20-17(23)3-2-4-18(20)24)19-6-5-14(11-15(16)19)31-22(25,26)27/h2-7,11-12H,8-10H2,1H3
InChIKeyUWZWYNFTXZRJFR-UHFFFAOYSA-N
MW469.29 g/mol
LogP6.25
Rot. Bonds3

About (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone

(2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone (PubChem CID 23288139) has the molecular formula C22H17Cl2F3N2O2 and a molecular weight of 469.29 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone
PubChem CID23288139
Molecular FormulaC22H17Cl2F3N2O2
Molecular Weight469.29 g/mol
Exact Mass468.06
IUPAC Name(2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone
SMILESCN1CC=C(c2cn(C(=O)c3c(Cl)cccc3Cl)c3ccc(OC(F)(F)F)cc23)CC1
InChIInChI=1S/C22H17Cl2F3N2O2/c1-28-9-7-13(8-10-28)16-12-29(21(30)20-17(23)3-2-4-18(20)24)19-6-5-14(11-15(16)19)31-22(25,26)27/h2-7,11-12H,8-10H2,1H3
InChIKeyUWZWYNFTXZRJFR-UHFFFAOYSA-N
XLogP6.25
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.29
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-Dichlorobenzoyl)-5-methoxy-2-methyl-(3-(morpholin-4-yl)ethyl)-1H-indole hydrochloride
CID 9911463
LM-4108
CID 4292
1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetic acid
CID 4711697
Indomethacin Morpholinylamide
CID 2415
2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-(4-fluorophenyl)acetamide
CID 1506603
L 748780
CID 127942
N-(3-Pyridyl)indomethacin Amide
CID 4434869
1H-Indole-3-acetamide, 1-(4-chlorobenzoyl)-5-methoxy-N,2-dimethyl-
CID 9907429
2-(1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl)-N-((trifluoromethyl)sulfonyl) acetamide
CID 71550737
N'-[(E)-(2-chlorophenyl)methylidene]-5-methoxy-1,2-dimethyl-1H-indole-3-carbohydrazide
CID 6878537
Indomethacin-amide derivative, 20
CID 4295
Indomethacin-amide derivative, 14
CID 4963667

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone (CID 23288139) is (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone is CN1CC=C(c2cn(C(=O)c3c(Cl)cccc3Cl)c3ccc(OC(F)(F)F)cc23)CC1.
What is the InChIKey of (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone?
The InChIKey is UWZWYNFTXZRJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N2O2/c1-28-9-7-13(8-10-28)16-12-29(21(30)20-17(23)3-2-4-18(20)24)19-6-5-14(11-15(16)19)31-22(25,26)27/h2-7,11-12H,8-10H2,1H3.
What are the key properties of (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone?
(2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone has a molecular weight of 469.29 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethoxy)indol-1-yl]methanone is sourced from PubChem (CID 23288139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).