sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate

C14H12Cl2N3NaO5 — CID 23667327

IUPACsodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate
SMILESCC(=O)N1CCN(C(=O)NC(C(=O)[O-])c2c(Cl)cccc2Cl)C1=O.[Na+]
InChIInChI=1S/C14H13Cl2N3O5.Na/c1-7(20)18-5-6-19(14(18)24)13(23)17-11(12(21)22)10-8(15)3-2-4-9(10)16;/h2-4,11H,5-6H2,1H3,(H,17,23)(H,21,22);/q;+1/p-1
InChIKeyULMXNTXPMXSRLL-UHFFFAOYSA-M
MW396.16 g/mol
LogP-2.22
Rot. Bonds3

About sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate

sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate (PubChem CID 23667327) has the molecular formula C14H12Cl2N3NaO5 and a molecular weight of 396.16 g/mol. Its IUPAC name is sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Namesodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate
PubChem CID23667327
Molecular FormulaC14H12Cl2N3NaO5
Molecular Weight396.16 g/mol
Exact Mass395.01
IUPAC Namesodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate
SMILESCC(=O)N1CCN(C(=O)NC(C(=O)[O-])c2c(Cl)cccc2Cl)C1=O.[Na+]
InChIInChI=1S/C14H13Cl2N3O5.Na/c1-7(20)18-5-6-19(14(18)24)13(23)17-11(12(21)22)10-8(15)3-2-4-9(10)16;/h2-4,11H,5-6H2,1H3,(H,17,23)(H,21,22);/q;+1/p-1
InChIKeyULMXNTXPMXSRLL-UHFFFAOYSA-M
XLogP-2.22
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 5-2.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate?
The IUPAC name of sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate (CID 23667327) is sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate is CC(=O)N1CCN(C(=O)NC(C(=O)[O-])c2c(Cl)cccc2Cl)C1=O.[Na+].
What is the InChIKey of sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate?
The InChIKey is ULMXNTXPMXSRLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13Cl2N3O5.Na/c1-7(20)18-5-6-19(14(18)24)13(23)17-11(12(21)22)10-8(15)3-2-4-9(10)16;/h2-4,11H,5-6H2,1H3,(H,17,23)(H,21,22);/q;+1/p-1.
What are the key properties of sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate?
sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate has a molecular weight of 396.16 g/mol, XLogP of -2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 23667327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).