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

C19H24ClN3O2 — CID 53147794

IUPAC4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H24ClN3O2/c1-2-23-14-16(15-3-5-17(20)6-4-15)13-18(23)19(24)21-7-8-22-9-11-25-12-10-22/h3-6,13-14H,2,7-12H2,1H3,(H,21,24)
InChIKeyKDKAZRJYWRUVLG-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.89
Rot. Bonds6

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

4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (PubChem CID 53147794) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
PubChem CID53147794
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H24ClN3O2/c1-2-23-14-16(15-3-5-17(20)6-4-15)13-18(23)19(24)21-7-8-22-9-11-25-12-10-22/h3-6,13-14H,2,7-12H2,1H3,(H,21,24)
InChIKeyKDKAZRJYWRUVLG-UHFFFAOYSA-N
XLogP2.89
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (CID 53147794) is 4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The InChIKey is KDKAZRJYWRUVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-2-23-14-16(15-3-5-17(20)6-4-15)13-18(23)19(24)21-7-8-22-9-11-25-12-10-22/h3-6,13-14H,2,7-12H2,1H3,(H,21,24).
What are the key properties of 4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
4-(4-chlorophenyl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 2.89, 6 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-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 53147794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).