2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C18H18ClN3O5 — CID 40813223

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)NN1C(=O)N[C@](C)(c2ccco2)C1=O
InChIInChI=1S/C18H18ClN3O5/c1-10-7-12(19)8-11(2)15(10)27-9-14(23)21-22-16(24)18(3,20-17(22)25)13-5-4-6-26-13/h4-8H,9H2,1-3H3,(H,20,25)(H,21,23)/t18-/m1/s1
InChIKeyILAAUGHFGMVDQG-GOSISDBHSA-N
MW391.81 g/mol
LogP2.43
Rot. Bonds5

About 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 40813223) has the molecular formula C18H18ClN3O5 and a molecular weight of 391.81 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID40813223
Molecular FormulaC18H18ClN3O5
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)NN1C(=O)N[C@](C)(c2ccco2)C1=O
InChIInChI=1S/C18H18ClN3O5/c1-10-7-12(19)8-11(2)15(10)27-9-14(23)21-22-16(24)18(3,20-17(22)25)13-5-4-6-26-13/h4-8H,9H2,1-3H3,(H,20,25)(H,21,23)/t18-/m1/s1
InChIKeyILAAUGHFGMVDQG-GOSISDBHSA-N
XLogP2.43
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40813349
4-acetamido-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]benzamide
CID 40803729
2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 27109354
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631551
2-(4-benzoylphenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17464109
2-(4-fluorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439522
N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18100149
2-(2-methoxyphenoxy)-N-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8503517
3-[2-(4-chlorophenoxy)ethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51249961
2-(4-chloro-2,6-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 9414673
N-(5-fluoro-2-methylphenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18098998

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 40813223) is 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1cc(Cl)cc(C)c1OCC(=O)NN1C(=O)N[C@](C)(c2ccco2)C1=O.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ILAAUGHFGMVDQG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18ClN3O5/c1-10-7-12(19)8-11(2)15(10)27-9-14(23)21-22-16(24)18(3,20-17(22)25)13-5-4-6-26-13/h4-8H,9H2,1-3H3,(H,20,25)(H,21,23)/t18-/m1/s1.
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 391.81 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-N-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 40813223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).