(3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide

C17H9Cl4N3O4 — CID 98389681

IUPAC(3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=N/O
InChIInChI=1S/C17H9Cl4N3O4/c18-9-3-1-7(5-11(9)20)22-15(25)13-14(23-28)17(27)24(16(13)26)8-2-4-10(19)12(21)6-8/h1-6,13,28H,(H,22,25)/b23-14+/t13-/m1/s1
InChIKeyWPRRKHZUQPPHGI-DZOGZAPRSA-N
MW461.09 g/mol
LogP4.26
Rot. Bonds3

About (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide

(3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide (PubChem CID 98389681) has the molecular formula C17H9Cl4N3O4 and a molecular weight of 461.09 g/mol. Its IUPAC name is (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide
PubChem CID98389681
Molecular FormulaC17H9Cl4N3O4
Molecular Weight461.09 g/mol
Exact Mass458.93
IUPAC Name(3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=N/O
InChIInChI=1S/C17H9Cl4N3O4/c18-9-3-1-7(5-11(9)20)22-15(25)13-14(23-28)17(27)24(16(13)26)8-2-4-10(19)12(21)6-8/h1-6,13,28H,(H,22,25)/b23-14+/t13-/m1/s1
InChIKeyWPRRKHZUQPPHGI-DZOGZAPRSA-N
XLogP4.26
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.09
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-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

N-(3,4-dichlorophenyl)-3,5-dioxothiane-4-carboxamide
CID 11515230
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
(6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
CID 7025832
N,1,3-tris(3,4-dichlorophenyl)-2,4-dioxo-6,7,8,9a-tetrahydropyrimido[1,2-a][1,3,5]triazine-9-carboxamide
CID 3588078
1-[4-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-3-phenylurea
CID 23101822
2-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide
CID 2854747
2-[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide
CID 1118615
N-(3,4-dichlorophenyl)-4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzamide
CID 3770810
N-(4-bromophenyl)-2-[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1116625
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274929
N-(3,4-dichlorophenyl)-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 21175975
N-(3,4-dichlorophenyl)-4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 21175974

Frequently Asked Questions

What is the IUPAC name of (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide (CID 98389681) is (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=N/O.
What is the InChIKey of (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is WPRRKHZUQPPHGI-DZOGZAPRSA-N. The full InChI is InChI=1S/C17H9Cl4N3O4/c18-9-3-1-7(5-11(9)20)22-15(25)13-14(23-28)17(27)24(16(13)26)8-2-4-10(19)12(21)6-8/h1-6,13,28H,(H,22,25)/b23-14+/t13-/m1/s1.
What are the key properties of (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide?
(3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 461.09 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E)-N,1-bis(3,4-dichlorophenyl)-4-hydroxyimino-2,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 98389681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).