N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C12H10ClN3O5 — CID 75402223

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C12H10ClN3O5/c13-6-1-8-9(21-5-20-8)2-7(6)15-10(17)4-16-11(18)3-14-12(16)19/h1-2H,3-5H2,(H,14,19)(H,15,17)
InChIKeyFBIKGWSVUWURBY-UHFFFAOYSA-N
MW311.68 g/mol
LogP0.56
Rot. Bonds3

About N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 75402223) has the molecular formula C12H10ClN3O5 and a molecular weight of 311.68 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID75402223
Molecular FormulaC12H10ClN3O5
Molecular Weight311.68 g/mol
Exact Mass311.03
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C12H10ClN3O5/c13-6-1-8-9(21-5-20-8)2-7(6)15-10(17)4-16-11(18)3-14-12(16)19/h1-2H,3-5H2,(H,14,19)(H,15,17)
InChIKeyFBIKGWSVUWURBY-UHFFFAOYSA-N
XLogP0.56
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 62231463
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772
2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid
CID 63723093
N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24566343
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 112722706
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide
CID 18103899
N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide
CID 61029942
2-(2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110686831
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7240816
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 75402223) is N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide is O=C(CN1C(=O)CNC1=O)Nc1cc2c(cc1Cl)OCO2.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is FBIKGWSVUWURBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O5/c13-6-1-8-9(21-5-20-8)2-7(6)15-10(17)4-16-11(18)3-14-12(16)19/h1-2H,3-5H2,(H,14,19)(H,15,17).
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 311.68 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 75402223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).