N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide

C19H23Cl2N3O4 — CID 54691036

IUPACN-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H23Cl2N3O4/c1-22(11-13-2-3-15(20)16(21)10-13)18(26)14-12-24(19(27)17(14)25)5-4-23-6-8-28-9-7-23/h2-3,10,25H,4-9,11-12H2,1H3
InChIKeyJDQYDAANQKJURH-UHFFFAOYSA-N
MW428.32 g/mol
LogP1.94
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54691036) has the molecular formula C19H23Cl2N3O4 and a molecular weight of 428.32 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54691036
Molecular FormulaC19H23Cl2N3O4
Molecular Weight428.32 g/mol
Exact Mass427.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H23Cl2N3O4/c1-22(11-13-2-3-15(20)16(21)10-13)18(26)14-12-24(19(27)17(14)25)5-4-23-6-8-28-9-7-23/h2-3,10,25H,4-9,11-12H2,1H3
InChIKeyJDQYDAANQKJURH-UHFFFAOYSA-N
XLogP1.94
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorobenzyl)-3-(morpholinocarbonyl)-2(1H)-pyridinone
CID 1478456
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 89489300
1-benzyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489363
ethyl 1-[(3,4-dichlorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54737683
1-(3,4-dichlorobenzyl)-5-(morpholinocarbonyl)-2(1H)-pyridinone
CID 3830299
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-propan-2-yloxyethyl)-2H-pyrrole-3-carboxamide
CID 71515489
N-[3-(3,4-dichlorophenyl)propyl]-1-(2-ethoxyethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489396
1-[(3-chlorophenyl)methyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489403
6-(Chloromethyl)-2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-hydroxy-pyran-4-one
CID 46933338
N-[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330494
3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2910237
2-[(3,4-Dichlorophenyl)methyl]-9-hydroxy-6-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54683407

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide (CID 54691036) is N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is JDQYDAANQKJURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O4/c1-22(11-13-2-3-15(20)16(21)10-13)18(26)14-12-24(19(27)17(14)25)5-4-23-6-8-28-9-7-23/h2-3,10,25H,4-9,11-12H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 428.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54691036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).