2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

C16H12Cl3N3O4 — CID 27109354

IUPAC2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESC[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H12Cl3N3O4/c1-16(12-3-2-4-26-12)14(24)22(15(25)21-16)7-13(23)20-11-6-9(18)8(17)5-10(11)19/h2-6H,7H2,1H3,(H,20,23)(H,21,25)/t16-/m0/s1
InChIKeyKXSCQZSSQPZZRS-INIZCTEOSA-N
MW416.65 g/mol
LogP3.65
Rot. Bonds4

About 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 27109354) has the molecular formula C16H12Cl3N3O4 and a molecular weight of 416.65 g/mol. Its IUPAC name is 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID27109354
Molecular FormulaC16H12Cl3N3O4
Molecular Weight416.65 g/mol
Exact Mass414.99
IUPAC Name2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESC[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H12Cl3N3O4/c1-16(12-3-2-4-26-12)14(24)22(15(25)21-16)7-13(23)20-11-6-9(18)8(17)5-10(11)19/h2-6H,7H2,1H3,(H,20,23)(H,21,25)/t16-/m0/s1
InChIKeyKXSCQZSSQPZZRS-INIZCTEOSA-N
XLogP3.65
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.65
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27109399
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51249939
N-(5-fluoro-2-methylphenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18098998
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17450041
5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 24572395
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
N-(3-fluorophenyl)-2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27109548
2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 9451459
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51317465
N-(3-ethylphenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46640090
2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 60617768
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 27109354) is 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is KXSCQZSSQPZZRS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12Cl3N3O4/c1-16(12-3-2-4-26-12)14(24)22(15(25)21-16)7-13(23)20-11-6-9(18)8(17)5-10(11)19/h2-6H,7H2,1H3,(H,20,23)(H,21,25)/t16-/m0/s1.
What are the key properties of 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 416.65 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 27109354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).