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

C18H19ClN2O4 — CID 55703958

IUPAC[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1[nH]c2ccccc2c1Cl)NC(=O)C1CCCCC1
InChIInChI=1S/C18H19ClN2O4/c19-15-12-8-4-5-9-13(12)20-16(15)18(24)25-10-14(22)21-17(23)11-6-2-1-3-7-11/h4-5,8-9,11,20H,1-3,6-7,10H2,(H,21,22,23)
InChIKeyXDZXFSJMLUNVIY-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.20
Rot. Bonds4

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

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (PubChem CID 55703958) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
PubChem CID55703958
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1[nH]c2ccccc2c1Cl)NC(=O)C1CCCCC1
InChIInChI=1S/C18H19ClN2O4/c19-15-12-8-4-5-9-13(12)20-16(15)18(24)25-10-14(22)21-17(23)11-6-2-1-3-7-11/h4-5,8-9,11,20H,1-3,6-7,10H2,(H,21,22,23)
InChIKeyXDZXFSJMLUNVIY-UHFFFAOYSA-N
XLogP3.20
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (CID 55703958) is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The canonical SMILES for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is O=C(COC(=O)c1[nH]c2ccccc2c1Cl)NC(=O)C1CCCCC1.
What is the InChIKey of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The InChIKey is XDZXFSJMLUNVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c19-15-12-8-4-5-9-13(12)20-16(15)18(24)25-10-14(22)21-17(23)11-6-2-1-3-7-11/h4-5,8-9,11,20H,1-3,6-7,10H2,(H,21,22,23).
What are the key properties of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate has a molecular weight of 362.81 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 55703958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).