methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate

C14H13Cl2NO4 — CID 70383034

IUPACmethyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
SMILESCOC(=O)Cc1c(C)n(C(=O)OC)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H13Cl2NO4/c1-7-9(6-12(18)20-2)10-4-8(15)5-11(16)13(10)17(7)14(19)21-3/h4-5H,6H2,1-3H3
InChIKeyVKYRLVDAIHBWHH-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.59
Rot. Bonds2

About methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate

methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate (PubChem CID 70383034) has the molecular formula C14H13Cl2NO4 and a molecular weight of 330.17 g/mol. Its IUPAC name is methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
PubChem CID70383034
Molecular FormulaC14H13Cl2NO4
Molecular Weight330.17 g/mol
Exact Mass329.02
IUPAC Namemethyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
SMILESCOC(=O)Cc1c(C)n(C(=O)OC)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H13Cl2NO4/c1-7-9(6-12(18)20-2)10-4-8(15)5-11(16)13(10)17(7)14(19)21-3/h4-5H,6H2,1-3H3
InChIKeyVKYRLVDAIHBWHH-UHFFFAOYSA-N
XLogP3.59
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-amino-4,6-dichlorophenyl)acetate
CID 131482461
methyl 2-[6-chloro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91081498
methyl 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381135
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
CID 82552401
methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate
CID 131851971
methyl 2-(6,8-dichloroquinazolin-4-yl)sulfanylacetate
CID 132587371
methyl 2-(2-chloro-4-formyl-6-methylphenyl)acetate
CID 171021659
methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate
CID 587439
tert-butyl 3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
CID 118368388
methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
CID 39234899
methyl 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 154279284

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate?
The IUPAC name of methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate (CID 70383034) is methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate.
What is the SMILES notation for methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate?
The canonical SMILES for methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate is COC(=O)Cc1c(C)n(C(=O)OC)c2c(Cl)cc(Cl)cc12.
What is the InChIKey of methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate?
The InChIKey is VKYRLVDAIHBWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO4/c1-7-9(6-12(18)20-2)10-4-8(15)5-11(16)13(10)17(7)14(19)21-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate?
methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate has a molecular weight of 330.17 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate is sourced from PubChem (CID 70383034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).