N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

C18H19Cl2N3O4 — CID 7800329

IUPACN-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C18H19Cl2N3O4/c1-10-4-2-3-5-14(10)23-17(26)16(25)22(18(23)27)9-15(24)21-11-6-7-12(19)13(20)8-11/h6-8,10,14H,2-5,9H2,1H3,(H,21,24)/t10-,14-/m0/s1
InChIKeySWIASXMBIXGDNS-HZMBPMFUSA-N
MW412.27 g/mol
LogP3.30
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7800329) has the molecular formula C18H19Cl2N3O4 and a molecular weight of 412.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7800329
Molecular FormulaC18H19Cl2N3O4
Molecular Weight412.27 g/mol
Exact Mass411.08
IUPAC NameN-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C18H19Cl2N3O4/c1-10-4-2-3-5-14(10)23-17(26)16(25)22(18(23)27)9-15(24)21-11-6-7-12(19)13(20)8-11/h6-8,10,14H,2-5,9H2,1H3,(H,21,24)/t10-,14-/m0/s1
InChIKeySWIASXMBIXGDNS-HZMBPMFUSA-N
XLogP3.30
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800665
N-(3-fluoro-4-methylphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799767
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 7800483
N-(1,3-benzodioxol-5-yl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800454
methyl 4-[[2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7800548
N-(2-chloro-4-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800427
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7800668
N-(5-chloro-2-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799669
2-[3-(2-methylcyclohexyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42900159
N-(5-chloro-2-methylphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800369
2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7800627
N-(2,6-dimethylphenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800366

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7800329) is N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is SWIASXMBIXGDNS-HZMBPMFUSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4/c1-10-4-2-3-5-14(10)23-17(26)16(25)22(18(23)27)9-15(24)21-11-6-7-12(19)13(20)8-11/h6-8,10,14H,2-5,9H2,1H3,(H,21,24)/t10-,14-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 412.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7800329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).