2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide

C24H23Cl2N3O3 — CID 2766069

IUPAC2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide
SMILESCc1cc(C(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C24H23Cl2N3O3/c1-15-13-20(23(30)24(31)27-18-5-3-17(25)4-6-18)16(2)29(15)19-7-8-22(21(26)14-19)28-9-11-32-12-10-28/h3-8,13-14H,9-12H2,1-2H3,(H,27,31)
InChIKeyZXMIWVWJGJLZQF-UHFFFAOYSA-N
MW472.37 g/mol
LogP5.06
Rot. Bonds5

About 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide

2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide (PubChem CID 2766069) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide
PubChem CID2766069
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide
SMILESCc1cc(C(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C24H23Cl2N3O3/c1-15-13-20(23(30)24(31)27-18-5-3-17(25)4-6-18)16(2)29(15)19-7-8-22(21(26)14-19)28-9-11-32-12-10-28/h3-8,13-14H,9-12H2,1-2H3,(H,27,31)
InChIKeyZXMIWVWJGJLZQF-UHFFFAOYSA-N
XLogP5.06
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-cyano-3-[2,5-dimethyl-1-(4-morpholin-4-yl-3-nitrophenyl)pyrrol-3-yl]prop-2-enamide
CID 3372383
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
CID 22515358
N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78836494
N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 3863811
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 134030385
N-(3-chloro-4-methoxyphenyl)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoacetamide
CID 22515506
ethyl 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetate
CID 70984214
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8591268
2,4-dichloro-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1343028
N,2,5-trimethyl-1-(2-methylphenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrole-3-carboxamide
CID 55347966

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide?
The IUPAC name of 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide (CID 2766069) is 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide is Cc1cc(C(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide?
The InChIKey is ZXMIWVWJGJLZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-15-13-20(23(30)24(31)27-18-5-3-17(25)4-6-18)16(2)29(15)19-7-8-22(21(26)14-19)28-9-11-32-12-10-28/h3-8,13-14H,9-12H2,1-2H3,(H,27,31).
What are the key properties of 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide?
2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide has a molecular weight of 472.37 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-chlorophenyl)-2-oxoacetamide is sourced from PubChem (CID 2766069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).