4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide

C20H26ClN3O2 — CID 53147792

IUPAC4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C20H26ClN3O2/c1-2-24-15-17(16-4-6-18(21)7-5-16)14-19(24)20(25)22-8-3-9-23-10-12-26-13-11-23/h4-7,14-15H,2-3,8-13H2,1H3,(H,22,25)
InChIKeyUXDPWTMAKCXTJG-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.28
Rot. Bonds7

About 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide

4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide (PubChem CID 53147792) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
PubChem CID53147792
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C20H26ClN3O2/c1-2-24-15-17(16-4-6-18(21)7-5-16)14-19(24)20(25)22-8-3-9-23-10-12-26-13-11-23/h4-7,14-15H,2-3,8-13H2,1H3,(H,22,25)
InChIKeyUXDPWTMAKCXTJG-UHFFFAOYSA-N
XLogP3.28
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide (CID 53147792) is 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide is CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
The InChIKey is UXDPWTMAKCXTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-2-24-15-17(16-4-6-18(21)7-5-16)14-19(24)20(25)22-8-3-9-23-10-12-26-13-11-23/h4-7,14-15H,2-3,8-13H2,1H3,(H,22,25).
What are the key properties of 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 53147792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).