2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide

C23H23ClN4O4 — CID 21215908

IUPAC2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C23H23ClN4O4/c24-18-5-7-19(8-6-18)32-16-22(29)26-25-13-17-14-28(21-4-2-1-3-20(17)21)15-23(30)27-9-11-31-12-10-27/h1-8,13-14H,9-12,15-16H2,(H,26,29)/b25-13-
InChIKeyHCYIIWLBKOQDAY-MXAYSNPKSA-N
MW454.91 g/mol
LogP2.68
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide

2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide (PubChem CID 21215908) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide
PubChem CID21215908
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Name2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C23H23ClN4O4/c24-18-5-7-19(8-6-18)32-16-22(29)26-25-13-17-14-28(21-4-2-1-3-20(17)21)15-23(30)27-9-11-31-12-10-27/h1-8,13-14H,9-12,15-16H2,(H,26,29)/b25-13-
InChIKeyHCYIIWLBKOQDAY-MXAYSNPKSA-N
XLogP2.68
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide (CID 21215908) is 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide?
The InChIKey is HCYIIWLBKOQDAY-MXAYSNPKSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c24-18-5-7-19(8-6-18)32-16-22(29)26-25-13-17-14-28(21-4-2-1-3-20(17)21)15-23(30)27-9-11-31-12-10-27/h1-8,13-14H,9-12,15-16H2,(H,26,29)/b25-13-.
What are the key properties of 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide has a molecular weight of 454.91 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 21215908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).