methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate

C23H16Cl3NO3 — CID 146173906

IUPACmethyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate
SMILESCOC(=O)c1c(Oc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H16Cl3NO3/c1-29-23(28)21-22(30-17-5-3-2-4-6-17)18-11-15(24)9-10-20(18)27(21)13-14-7-8-16(25)12-19(14)26/h2-12H,13H2,1H3
InChIKeyUGLSNFOGYPHVTN-UHFFFAOYSA-N
MW460.74 g/mol
LogP7.23
Rot. Bonds5

About methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate

methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate (PubChem CID 146173906) has the molecular formula C23H16Cl3NO3 and a molecular weight of 460.74 g/mol. Its IUPAC name is methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate
PubChem CID146173906
Molecular FormulaC23H16Cl3NO3
Molecular Weight460.74 g/mol
Exact Mass459.02
IUPAC Namemethyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate
SMILESCOC(=O)c1c(Oc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H16Cl3NO3/c1-29-23(28)21-22(30-17-5-3-2-4-6-17)18-11-15(24)9-10-20(18)27(21)13-14-7-8-16(25)12-19(14)26/h2-12H,13H2,1H3
InChIKeyUGLSNFOGYPHVTN-UHFFFAOYSA-N
XLogP7.23
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.74
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate with MolForge

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Related Compounds

bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylic acid;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate
CID 162240907
1-[(2,4-dichlorophenyl)methyl]-5-methyl-3-phenoxyindole-2-carboxylic acid
CID 153352530
bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-hydroxyindole-2-carboxylate;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methoxyindole-2-carboxylate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158142772
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-[4-(2-methoxyethoxymethoxy)phenoxy]indole-2-carboxylate
CID 146173905
methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1449795
2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68907507
bis[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-hydroxyindole-2-carboxylate;methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylmethoxyindole-2-carboxylate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158744648
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate
CID 57081064
1-[3-amino-1-[(2,4-dichlorophenyl)methyl]indol-2-yl]hexan-1-one
CID 67881336
methyl 4-benzoyl-1-benzyl-6-chloro-2-oxoquinoline-3-carboxylate
CID 132536891
methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride
CID 3060291

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate?
The IUPAC name of methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate (CID 146173906) is methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate?
The canonical SMILES for methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate is COC(=O)c1c(Oc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate?
The InChIKey is UGLSNFOGYPHVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3NO3/c1-29-23(28)21-22(30-17-5-3-2-4-6-17)18-11-15(24)9-10-20(18)27(21)13-14-7-8-16(25)12-19(14)26/h2-12H,13H2,1H3.
What are the key properties of methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate?
methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate has a molecular weight of 460.74 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate is sourced from PubChem (CID 146173906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).