[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate

C19H17ClN2O3 — CID 7466038

IUPAC[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-11-7-12(2)18(14(20)8-11)22-17(23)10-25-19(24)16-9-13-5-3-4-6-15(13)21-16/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyQYNHEYUWZPGFPK-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.23
Rot. Bonds4

About [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 7466038) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID7466038
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-11-7-12(2)18(14(20)8-11)22-17(23)10-25-19(24)16-9-13-5-3-4-6-15(13)21-16/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyQYNHEYUWZPGFPK-UHFFFAOYSA-N
XLogP4.23
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7561238
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468120
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786024
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723432
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7723024
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11908270
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828541
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 27269010
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate (CID 7466038) is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate is Cc1cc(C)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is QYNHEYUWZPGFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11-7-12(2)18(14(20)8-11)22-17(23)10-25-19(24)16-9-13-5-3-4-6-15(13)21-16/h3-9,21H,10H2,1-2H3,(H,22,23).
What are the key properties of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate?
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7466038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).