(3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide

C22H23ClIN3O4 — CID 126267755

IUPAC(3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(I)c1OCC
InChIInChI=1S/C22H23ClIN3O4/c1-3-30-19-10-14(9-18(24)21(19)31-4-2)12-25-26-22(29)15-11-20(28)27(13-15)17-7-5-16(23)6-8-17/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,26,29)/b25-12-/t15-/m0/s1
InChIKeyDFHWJZCLIAUKRW-JNXALSOLSA-N
MW555.80 g/mol
LogP4.25
Rot. Bonds8

About (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide (PubChem CID 126267755) has the molecular formula C22H23ClIN3O4 and a molecular weight of 555.80 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
PubChem CID126267755
Molecular FormulaC22H23ClIN3O4
Molecular Weight555.80 g/mol
Exact Mass555.04
IUPAC Name(3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(I)c1OCC
InChIInChI=1S/C22H23ClIN3O4/c1-3-30-19-10-14(9-18(24)21(19)31-4-2)12-25-26-22(29)15-11-20(28)27(13-15)17-7-5-16(23)6-8-17/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,26,29)/b25-12-/t15-/m0/s1
InChIKeyDFHWJZCLIAUKRW-JNXALSOLSA-N
XLogP4.25
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.80
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-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

(3S)-N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126268061
(3R)-1-(4-chlorophenyl)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126259756
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 2883750
(3S)-1-(4-chlorophenyl)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126265368
(3R)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126269211
(3R)-1-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126261630
(3R)-1-(4-bromophenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 39869217
(3S)-N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126262577
(3R)-N-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126264910
(3R)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 126265507
(3S)-1-(4-bromophenyl)-N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126260914
(3R)-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084233

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide (CID 126267755) is (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide is CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(I)c1OCC.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DFHWJZCLIAUKRW-JNXALSOLSA-N. The full InChI is InChI=1S/C22H23ClIN3O4/c1-3-30-19-10-14(9-18(24)21(19)31-4-2)12-25-26-22(29)15-11-20(28)27(13-15)17-7-5-16(23)6-8-17/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,26,29)/b25-12-/t15-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 555.80 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126267755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).