2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide

C25H22Cl4N6O5 — CID 2829484

IUPAC2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide
SMILESCC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)NN=Cc1ccco1
InChIInChI=1S/C25H22Cl4N6O5/c1-25(2)22(35(39)23(37)31-14-5-7-17(26)19(28)10-14)34(15-6-8-18(27)20(29)11-15)24(38)33(25)13-21(36)32-30-12-16-4-3-9-40-16/h3-12,22,39H,13H2,1-2H3,(H,31,37)(H,32,36)
InChIKeyFFZAFMKZMMHENM-UHFFFAOYSA-N
MW628.30 g/mol
LogP6.31
Rot. Bonds7

About 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide

2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide (PubChem CID 2829484) has the molecular formula C25H22Cl4N6O5 and a molecular weight of 628.30 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide
PubChem CID2829484
Molecular FormulaC25H22Cl4N6O5
Molecular Weight628.30 g/mol
Exact Mass626.04
IUPAC Name2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide
SMILESCC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)NN=Cc1ccco1
InChIInChI=1S/C25H22Cl4N6O5/c1-25(2)22(35(39)23(37)31-14-5-7-17(26)19(28)10-14)34(15-6-8-18(27)20(29)11-15)24(38)33(25)13-21(36)32-30-12-16-4-3-9-40-16/h3-12,22,39H,13H2,1-2H3,(H,31,37)(H,32,36)
InChIKeyFFZAFMKZMMHENM-UHFFFAOYSA-N
XLogP6.31
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.30
LogP ≤ 56.31
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'}

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Related Compounds

3-(3,4-dichlorophenyl)-1-[(4S)-3-(3,4-dichlorophenyl)-1-heptyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 98380410
N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3999658
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
1-[(4R)-3-(3-chlorophenyl)-1-hydroxy-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
CID 40879539
1-[1-cyclohexyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
CID 3468223
5-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide
CID 3653611
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3761126
3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 40879399
N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 6880038
1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 5191444
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3797999
1-(2-cyanopropyl)-3-(3,4-dichlorophenyl)-1-[(E)-furan-2-ylmethylideneamino]urea
CID 134113027

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide (CID 2829484) is 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide is CC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)NN=Cc1ccco1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide?
The InChIKey is FFZAFMKZMMHENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl4N6O5/c1-25(2)22(35(39)23(37)31-14-5-7-17(26)19(28)10-14)34(15-6-8-18(27)20(29)11-15)24(38)33(25)13-21(36)32-30-12-16-4-3-9-40-16/h3-12,22,39H,13H2,1-2H3,(H,31,37)(H,32,36).
What are the key properties of 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide?
2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide has a molecular weight of 628.30 g/mol, XLogP of 6.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 2829484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).