N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

C11H10Cl2N2O3 — CID 142439377

IUPACN-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O3/c12-5-1-2-7(6(13)3-5)15-11(18)9-8(16)4-14-10(9)17/h1-3,8-9,16H,4H2,(H,14,17)(H,15,18)
InChIKeyDVKMOTWERQLJOC-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.04
Rot. Bonds2

About N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 142439377) has the molecular formula C11H10Cl2N2O3 and a molecular weight of 289.12 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID142439377
Molecular FormulaC11H10Cl2N2O3
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC NameN-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O3/c12-5-1-2-7(6(13)3-5)15-11(18)9-8(16)4-14-10(9)17/h1-3,8-9,16H,4H2,(H,14,17)(H,15,18)
InChIKeyDVKMOTWERQLJOC-UHFFFAOYSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 124776024
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide
CID 91033193
N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448508
3-[(2,4-dichlorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834801
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690499
(3R,4S)-4-(4-chloro-3-methylphenyl)-N-(2,4-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411721
(1R,2S,3R,4R)-3-[(2,4-dichlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152603
2-N-(2,4-dichlorophenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130797
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 142439377) is N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is O=C1NCC(O)C1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is DVKMOTWERQLJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3/c12-5-1-2-7(6(13)3-5)15-11(18)9-8(16)4-14-10(9)17/h1-3,8-9,16H,4H2,(H,14,17)(H,15,18).
What are the key properties of N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 289.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142439377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).