[5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate

C21H18F3NO5 — CID 173186496

IUPAC[5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate
SMILESCOc1ccc2c(c1C)c(OC(C)=O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H18F3NO5/c1-11-17(28-4)10-9-16-18(11)19(29-13(3)26)12(2)25(16)20(27)14-5-7-15(8-6-14)30-21(22,23)24/h5-10H,1-4H3
InChIKeyJLWRPMNBCKYVRP-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.78
Rot. Bonds4

About [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate

[5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate (PubChem CID 173186496) has the molecular formula C21H18F3NO5 and a molecular weight of 421.37 g/mol. Its IUPAC name is [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate.

Molecular Properties

Compound Name[5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate
PubChem CID173186496
Molecular FormulaC21H18F3NO5
Molecular Weight421.37 g/mol
Exact Mass421.11
IUPAC Name[5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate
SMILESCOc1ccc2c(c1C)c(OC(C)=O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H18F3NO5/c1-11-17(28-4)10-9-16-18(11)19(29-13(3)26)12(2)25(16)20(27)14-5-7-15(8-6-14)30-21(22,23)24/h5-10H,1-4H3
InChIKeyJLWRPMNBCKYVRP-UHFFFAOYSA-N
XLogP4.78
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate 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

[7-[(2R)-butan-2-yl]-4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate
CID 69488256
potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
CID 173442022
[4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate
CID 69488376
tert-butyl 2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate
CID 91501750
[5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate
CID 11474366
propan-2-yl 2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate
CID 90945417
N-butan-2-yl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide
CID 69487707
[1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate
CID 69487470
2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanamide
CID 90772220
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]indol-3-yl]acetic acid
CID 18453950
[4-butyl-1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate
CID 69485119
2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid
CID 11224105

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate?
The IUPAC name of [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate (CID 173186496) is [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate.
What is the SMILES notation for [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate?
The canonical SMILES for [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate is COc1ccc2c(c1C)c(OC(C)=O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate?
The InChIKey is JLWRPMNBCKYVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO5/c1-11-17(28-4)10-9-16-18(11)19(29-13(3)26)12(2)25(16)20(27)14-5-7-15(8-6-14)30-21(22,23)24/h5-10H,1-4H3.
What are the key properties of [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate?
[5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate has a molecular weight of 421.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate is sourced from PubChem (CID 173186496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).