2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide

C28H28Cl2N6O5 — CID 134140577

IUPAC2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide
SMILESCc1ccc(/C=C/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)C(N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)o1
InChIInChI=1S/C28H28Cl2N6O5/c1-18-6-15-23(41-18)5-4-16-31-33-24(37)17-34-27(39)35(22-13-9-20(30)10-14-22)25(28(34,2)3)36(40)26(38)32-21-11-7-19(29)8-12-21/h4-16,25,40H,17H2,1-3H3,(H,32,38)(H,33,37)/b5-4+,31-16+
InChIKeyOGKZIEPEKQVMTF-GKLDQLIVSA-N
MW599.48 g/mol
LogP5.98
Rot. Bonds8

About 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide

2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide (PubChem CID 134140577) has the molecular formula C28H28Cl2N6O5 and a molecular weight of 599.48 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide
PubChem CID134140577
Molecular FormulaC28H28Cl2N6O5
Molecular Weight599.48 g/mol
Exact Mass598.15
IUPAC Name2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide
SMILESCc1ccc(/C=C/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)C(N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)o1
InChIInChI=1S/C28H28Cl2N6O5/c1-18-6-15-23(41-18)5-4-16-31-33-24(37)17-34-27(39)35(22-13-9-20(30)10-14-22)25(28(34,2)3)36(40)26(38)32-21-11-7-19(29)8-12-21/h4-16,25,40H,17H2,1-3H3,(H,32,38)(H,33,37)/b5-4+,31-16+
InChIKeyOGKZIEPEKQVMTF-GKLDQLIVSA-N
XLogP5.98
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.48
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide (CID 134140577) is 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide is Cc1ccc(/C=C/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)C(N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)o1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide?
The InChIKey is OGKZIEPEKQVMTF-GKLDQLIVSA-N. The full InChI is InChI=1S/C28H28Cl2N6O5/c1-18-6-15-23(41-18)5-4-16-31-33-24(37)17-34-27(39)35(22-13-9-20(30)10-14-22)25(28(34,2)3)36(40)26(38)32-21-11-7-19(29)8-12-21/h4-16,25,40H,17H2,1-3H3,(H,32,38)(H,33,37)/b5-4+,31-16+.
What are the key properties of 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide?
2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide has a molecular weight of 599.48 g/mol, XLogP of 5.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 134140577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).