5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide

C24H25ClFN3O2 — CID 24718479

IUPAC5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1F
InChIInChI=1S/C24H25ClFN3O2/c1-17-20(24(30)27-10-11-28-12-14-31-15-13-28)16-23(18-6-8-19(25)9-7-18)29(17)22-5-3-2-4-21(22)26/h2-9,16H,10-15H2,1H3,(H,27,30)
InChIKeyMBBDBTQRFJHFOL-UHFFFAOYSA-N
MW441.93 g/mol
LogP4.31
Rot. Bonds6

About 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide

5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide (PubChem CID 24718479) has the molecular formula C24H25ClFN3O2 and a molecular weight of 441.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
PubChem CID24718479
Molecular FormulaC24H25ClFN3O2
Molecular Weight441.93 g/mol
Exact Mass441.16
IUPAC Name5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1F
InChIInChI=1S/C24H25ClFN3O2/c1-17-20(24(30)27-10-11-28-12-14-31-15-13-28)16-23(18-6-8-19(25)9-7-18)29(17)22-5-3-2-4-21(22)26/h2-9,16H,10-15H2,1H3,(H,27,30)
InChIKeyMBBDBTQRFJHFOL-UHFFFAOYSA-N
XLogP4.31
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide (CID 24718479) is 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1F.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
The InChIKey is MBBDBTQRFJHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O2/c1-17-20(24(30)27-10-11-28-12-14-31-15-13-28)16-23(18-6-8-19(25)9-7-18)29(17)22-5-3-2-4-21(22)26/h2-9,16H,10-15H2,1H3,(H,27,30).
What are the key properties of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide has a molecular weight of 441.93 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 24718479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).