2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

C24H24ClN3O3 — CID 24791571

IUPAC2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C24H24ClN3O3/c1-2-27-16-17(18-7-4-6-10-22(18)27)15-21(24(30)28-11-13-31-14-12-28)26-23(29)19-8-3-5-9-20(19)25/h3-10,15-16H,2,11-14H2,1H3,(H,26,29)/b21-15-
InChIKeyDWTUJMGEULLDRS-QNGOZBTKSA-N
MW437.93 g/mol
LogP3.94
Rot. Bonds5

About 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 24791571) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
PubChem CID24791571
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C24H24ClN3O3/c1-2-27-16-17(18-7-4-6-10-22(18)27)15-21(24(30)28-11-13-31-14-12-28)26-23(29)19-8-3-5-9-20(19)25/h3-10,15-16H,2,11-14H2,1H3,(H,26,29)/b21-15-
InChIKeyDWTUJMGEULLDRS-QNGOZBTKSA-N
XLogP3.94
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide (CID 24791571) is 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is DWTUJMGEULLDRS-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-2-27-16-17(18-7-4-6-10-22(18)27)15-21(24(30)28-11-13-31-14-12-28)26-23(29)19-8-3-5-9-20(19)25/h3-10,15-16H,2,11-14H2,1H3,(H,26,29)/b21-15-.
What are the key properties of 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 24791571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).