[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate

C19H15ClN2O5 — CID 55703991

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C19H15ClN2O5/c1-26-18(24)12-7-3-5-9-14(12)21-15(23)10-27-19(25)17-16(20)11-6-2-4-8-13(11)22-17/h2-9,22H,10H2,1H3,(H,21,23)
InChIKeyPPOPOOORXGGIAC-UHFFFAOYSA-N
MW386.79 g/mol
LogP3.40
Rot. Bonds5

About [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (PubChem CID 55703991) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
PubChem CID55703991
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C19H15ClN2O5/c1-26-18(24)12-7-3-5-9-14(12)21-15(23)10-27-19(25)17-16(20)11-6-2-4-8-13(11)22-17/h2-9,22H,10H2,1H3,(H,21,23)
InChIKeyPPOPOOORXGGIAC-UHFFFAOYSA-N
XLogP3.40
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459679
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492820
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459624
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122861
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704162
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704160
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704140
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649189

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (CID 55703991) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is COC(=O)c1ccccc1NC(=O)COC(=O)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The InChIKey is PPOPOOORXGGIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-26-18(24)12-7-3-5-9-14(12)21-15(23)10-27-19(25)17-16(20)11-6-2-4-8-13(11)22-17/h2-9,22H,10H2,1H3,(H,21,23).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate has a molecular weight of 386.79 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 55703991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).