[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate

C19H17ClN2O3 — CID 8816055

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cn(C)c3ccccc23)c(Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-7-8-16(15(20)9-12)21-18(23)11-25-19(24)14-10-22(2)17-6-4-3-5-13(14)17/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyFKWMPIJYPSZXSQ-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.94
Rot. Bonds4

About [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate (PubChem CID 8816055) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
PubChem CID8816055
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cn(C)c3ccccc23)c(Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-7-8-16(15(20)9-12)21-18(23)11-25-19(24)14-10-22(2)17-6-4-3-5-13(14)17/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyFKWMPIJYPSZXSQ-UHFFFAOYSA-N
XLogP3.94
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 18776513
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816511
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817263
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758284
[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816197
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2540932
[2-(2-chloro-4-methylanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823431
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817198
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 18776515
[2-(4-nitroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816265
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131031
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849835

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate (CID 8816055) is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate is Cc1ccc(NC(=O)COC(=O)c2cn(C)c3ccccc23)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The InChIKey is FKWMPIJYPSZXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-7-8-16(15(20)9-12)21-18(23)11-25-19(24)14-10-22(2)17-6-4-3-5-13(14)17/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 8816055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).