[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate

C20H19ClN2O4 — CID 55703850

IUPAC[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C20H19ClN2O4/c1-3-26-16-11-7-6-10-15(16)23-19(24)12(2)27-20(25)18-17(21)13-8-4-5-9-14(13)22-18/h4-12,22H,3H2,1-2H3,(H,23,24)
InChIKeyCPENJGVTEVSNTN-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.40
Rot. Bonds6

About [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate (PubChem CID 55703850) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate
PubChem CID55703850
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C20H19ClN2O4/c1-3-26-16-11-7-6-10-15(16)23-19(24)12(2)27-20(25)18-17(21)13-8-4-5-9-14(13)22-18/h4-12,22H,3H2,1-2H3,(H,23,24)
InChIKeyCPENJGVTEVSNTN-UHFFFAOYSA-N
XLogP4.40
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-nitroanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate
CID 55704015
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CID 46459567
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 46629727
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate
CID 51726699
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 2629891
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383460
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 5116580
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704162
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 46625247

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate?
The IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate (CID 55703850) is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate?
The canonical SMILES for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate is CCOc1ccccc1NC(=O)C(C)OC(=O)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate?
The InChIKey is CPENJGVTEVSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-3-26-16-11-7-6-10-15(16)23-19(24)12(2)27-20(25)18-17(21)13-8-4-5-9-14(13)22-18/h4-12,22H,3H2,1-2H3,(H,23,24).
What are the key properties of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate?
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate has a molecular weight of 386.84 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 55703850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).