(3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

C22H17Cl2N3O3 — CID 6982371

IUPAC(3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESO=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H17Cl2N3O3/c23-17-8-4-7-15(20(17)24)18-10-9-14(30-18)11-26-27-22(29)19-16(12-25-21(19)28)13-5-2-1-3-6-13/h1-11,16,19H,12H2,(H,25,28)(H,27,29)/t16-,19+/m0/s1
InChIKeyAROOAZVHDKORCX-QFBILLFUSA-N
MW442.30 g/mol
LogP4.23
Rot. Bonds5

About (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

(3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 6982371) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID6982371
Molecular FormulaC22H17Cl2N3O3
Molecular Weight442.30 g/mol
Exact Mass441.06
IUPAC Name(3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESO=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H17Cl2N3O3/c23-17-8-4-7-15(20(17)24)18-10-9-14(30-18)11-26-27-22(29)19-16(12-25-21(19)28)13-5-2-1-3-6-13/h1-11,16,19H,12H2,(H,25,28)(H,27,29)/t16-,19+/m0/s1
InChIKeyAROOAZVHDKORCX-QFBILLFUSA-N
XLogP4.23
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7332702
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 6159848
(3S,4S)-N-[[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11879923
N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 3732864
(3S,4R)-N-[(3,4-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 1224904
(3R,4S)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 38032931
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135642757
(3S,4R)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 5406050
(3R,4S)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7393389
(3S,4R)-2-oxo-4-phenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 35796860
methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
(3R,4R)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135748338

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (CID 6982371) is (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is AROOAZVHDKORCX-QFBILLFUSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3/c23-17-8-4-7-15(20(17)24)18-10-9-14(30-18)11-26-27-22(29)19-16(12-25-21(19)28)13-5-2-1-3-6-13/h1-11,16,19H,12H2,(H,25,28)(H,27,29)/t16-,19+/m0/s1.
What are the key properties of (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
(3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 442.30 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6982371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).