2-chloro-2-methylpropanamide;hydrochloride

C4H9Cl2NO — CID 141117317

IUPAC2-chloro-2-methylpropanamide;hydrochloride
SMILESCC(C)(Cl)C(N)=O.Cl
InChIInChI=1S/C4H8ClNO.ClH/c1-4(2,5)3(6)7;/h1-2H3,(H2,6,7);1H
InChIKeyFHDOMHDBUBWICK-UHFFFAOYSA-N
MW158.03 g/mol
LogP0.91
Rot. Bonds1

About 2-chloro-2-methylpropanamide;hydrochloride

2-chloro-2-methylpropanamide;hydrochloride (PubChem CID 141117317) has the molecular formula C4H9Cl2NO and a molecular weight of 158.03 g/mol. Its IUPAC name is 2-chloro-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-2-methylpropanamide;hydrochloride
PubChem CID141117317
Molecular FormulaC4H9Cl2NO
Molecular Weight158.03 g/mol
Exact Mass157.01
IUPAC Name2-chloro-2-methylpropanamide;hydrochloride
SMILESCC(C)(Cl)C(N)=O.Cl
InChIInChI=1S/C4H8ClNO.ClH/c1-4(2,5)3(6)7;/h1-2H3,(H2,6,7);1H
InChIKeyFHDOMHDBUBWICK-UHFFFAOYSA-N
XLogP0.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.03
LogP ≤ 50.91
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-amino-2-methylpropanamide;dihydrochloride
CID 142633616
2,2,2-trichloroacetamide
CID 71309866
(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
CID 143623882
acetyl chloride;2,2-dimethylpropanamide
CID 157270629
2-(hydroxyamino)-2-methylpropanamide
CID 523203
2,2-dibromo-2-chloroacetamide
CID 57485950
3,3-dichlorobutanamide
CID 57160976
3-amino-2,2-dimethylpropanamide;dihydrochloride
CID 172704051
cyclopentane;2,2-dimethylpropanamide
CID 90008477
2,2-bis(sulfanyl)propanamide;hydrazine
CID 161266278
cyclobutane;2,2-dimethylpropanamide
CID 145147245
2,2-dichloropropyl carbamate
CID 146611343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-chloro-2-methylpropanamide;hydrochloride (CID 141117317) is 2-chloro-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-chloro-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-chloro-2-methylpropanamide;hydrochloride is CC(C)(Cl)C(N)=O.Cl.
What is the InChIKey of 2-chloro-2-methylpropanamide;hydrochloride?
The InChIKey is FHDOMHDBUBWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO.ClH/c1-4(2,5)3(6)7;/h1-2H3,(H2,6,7);1H.
What are the key properties of 2-chloro-2-methylpropanamide;hydrochloride?
2-chloro-2-methylpropanamide;hydrochloride has a molecular weight of 158.03 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 141117317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).