2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide

C9H17ClN2O2 — CID 43296215

IUPAC2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide
SMILESCCC(C)CN(C)C(=O)NC(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-4-7(2)6-12(3)9(14)11-8(13)5-10/h7H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyXXEJWNWDLMPANL-UHFFFAOYSA-N
MW220.70 g/mol
LogP1.44
Rot. Bonds4

About 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide

2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide (PubChem CID 43296215) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide
PubChem CID43296215
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide
SMILESCCC(C)CN(C)C(=O)NC(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-4-7(2)6-12(3)9(14)11-8(13)5-10/h7H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyXXEJWNWDLMPANL-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide (CID 43296215) is 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide is CCC(C)CN(C)C(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide?
The InChIKey is XXEJWNWDLMPANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2/c1-4-7(2)6-12(3)9(14)11-8(13)5-10/h7H,4-6H2,1-3H3,(H,11,13,14).
What are the key properties of 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide?
2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide has a molecular weight of 220.70 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide is sourced from PubChem (CID 43296215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).