2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide

C8H14ClN3O3 — CID 130723536

IUPAC2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)NC(=O)NC(=O)CCl
InChIInChI=1S/C8H14ClN3O3/c1-8(2,6(14)10-3)12-7(15)11-5(13)4-9/h4H2,1-3H3,(H,10,14)(H2,11,12,13,15)
InChIKeySLYXBPXCGHYDOT-UHFFFAOYSA-N
MW235.67 g/mol
LogP-0.42
Rot. Bonds3

About 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide

2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide (PubChem CID 130723536) has the molecular formula C8H14ClN3O3 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide
PubChem CID130723536
Molecular FormulaC8H14ClN3O3
Molecular Weight235.67 g/mol
Exact Mass235.07
IUPAC Name2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)NC(=O)NC(=O)CCl
InChIInChI=1S/C8H14ClN3O3/c1-8(2,6(14)10-3)12-7(15)11-5(13)4-9/h4H2,1-3H3,(H,10,14)(H2,11,12,13,15)
InChIKeySLYXBPXCGHYDOT-UHFFFAOYSA-N
XLogP-0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-2-(propanoylamino)propanamide
CID 130249433
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
2,2,2-trichloro-N-(2-chloroacetyl)acetamide
CID 154016680
3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide
CID 137333173
N-acetyl-2-chloroacetamide
CID 2366697
N,2-dimethyl-2-(methylamino)propanamide;hydrochloride
CID 75530899
2-chloro-N-methylacetamide;methanamine
CID 162214165
2-(2-bromopropanoylamino)-N,2-dimethylpropanamide
CID 131054139
2-chloro-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82720220
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174
3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
CID 62935282

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide?
The IUPAC name of 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide (CID 130723536) is 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)NC(=O)NC(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide?
The InChIKey is SLYXBPXCGHYDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O3/c1-8(2,6(14)10-3)12-7(15)11-5(13)4-9/h4H2,1-3H3,(H,10,14)(H2,11,12,13,15).
What are the key properties of 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide?
2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide has a molecular weight of 235.67 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 130723536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).