3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide

C6H11Cl2NO — CID 137333173

IUPAC3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(CCl)CCl
InChIInChI=1S/C6H11Cl2NO/c1-6(3-7,4-8)5(10)9-2/h3-4H2,1-2H3,(H,9,10)
InChIKeyQMFZTQXBWCWPRN-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.22
Rot. Bonds3

About 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide

3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide (PubChem CID 137333173) has the molecular formula C6H11Cl2NO and a molecular weight of 184.07 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide
PubChem CID137333173
Molecular FormulaC6H11Cl2NO
Molecular Weight184.07 g/mol
Exact Mass183.02
IUPAC Name3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(CCl)CCl
InChIInChI=1S/C6H11Cl2NO/c1-6(3-7,4-8)5(10)9-2/h3-4H2,1-2H3,(H,9,10)
InChIKeyQMFZTQXBWCWPRN-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426
N,2,2-trimethylhexanamide
CID 87705334
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
methyl 2-(chloromethyl)-3-methoxy-2-methylpropanoate
CID 14093553
2-hydroxy-N,2-dimethylbutanamide
CID 22213750
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811
2,2-diethyl-N,N',4,4-tetramethylpentanediamide
CID 123803156
N,2,2,4,4,5-hexamethylhexanamide
CID 89008752
2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide
CID 130723536
N,2-dimethyl-2-(methylamino)propanamide;hydrochloride
CID 75530899
4-acetamido-N,2,2,4-tetramethylpentanamide
CID 130219137

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide?
The IUPAC name of 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide (CID 137333173) is 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide is CNC(=O)C(C)(CCl)CCl.
What is the InChIKey of 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide?
The InChIKey is QMFZTQXBWCWPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NO/c1-6(3-7,4-8)5(10)9-2/h3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide?
3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide has a molecular weight of 184.07 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 137333173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).