2-chloroacetyl chloride;2-methylpropanamide

C6H11Cl2NO2 — CID 174918876

IUPAC2-chloroacetyl chloride;2-methylpropanamide
SMILESCC(C)C(N)=O.O=C(Cl)CCl
InChIInChI=1S/C4H9NO.C2H2Cl2O/c1-3(2)4(5)6;3-1-2(4)5/h3H,1-2H3,(H2,5,6);1H2
InChIKeyQWZIBXJRJJIPKN-UHFFFAOYSA-N
MW200.06 g/mol
LogP1.12
Rot. Bonds2

About 2-chloroacetyl chloride;2-methylpropanamide

2-chloroacetyl chloride;2-methylpropanamide (PubChem CID 174918876) has the molecular formula C6H11Cl2NO2 and a molecular weight of 200.06 g/mol. Its IUPAC name is 2-chloroacetyl chloride;2-methylpropanamide.

Molecular Properties

Compound Name2-chloroacetyl chloride;2-methylpropanamide
PubChem CID174918876
Molecular FormulaC6H11Cl2NO2
Molecular Weight200.06 g/mol
Exact Mass199.02
IUPAC Name2-chloroacetyl chloride;2-methylpropanamide
SMILESCC(C)C(N)=O.O=C(Cl)CCl
InChIInChI=1S/C4H9NO.C2H2Cl2O/c1-3(2)4(5)6;3-1-2(4)5/h3H,1-2H3,(H2,5,6);1H2
InChIKeyQWZIBXJRJJIPKN-UHFFFAOYSA-N
XLogP1.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.06
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloroacetyl chloride;ethane
CID 144520290
2-methylpropanamide;bis(propan-2-one)
CID 174404145
2-chloroacetyl chloride;silane
CID 174549758
cyclopentane;2-methylpropanamide
CID 142523492
ethane;2-methylpropanamide;molecular hydrogen
CID 143394269
acetyl bromide;2-chloroacetyl chloride
CID 88646573
ethyl acetate;2-methylpropanamide
CID 174848751
propanoyl chloride;urea
CID 174974689
dichloromethane;2-methylpropanoic acid
CID 161358956
butan-1-ol;ethane;2-methylpropanamide
CID 142541326
2,3-dimethylbutanediamide
CID 55281411
1,1-dichloroethane;urea
CID 158856998

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;2-methylpropanamide?
The IUPAC name of 2-chloroacetyl chloride;2-methylpropanamide (CID 174918876) is 2-chloroacetyl chloride;2-methylpropanamide.
What is the SMILES notation for 2-chloroacetyl chloride;2-methylpropanamide?
The canonical SMILES for 2-chloroacetyl chloride;2-methylpropanamide is CC(C)C(N)=O.O=C(Cl)CCl.
What is the InChIKey of 2-chloroacetyl chloride;2-methylpropanamide?
The InChIKey is QWZIBXJRJJIPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H2Cl2O/c1-3(2)4(5)6;3-1-2(4)5/h3H,1-2H3,(H2,5,6);1H2.
What are the key properties of 2-chloroacetyl chloride;2-methylpropanamide?
2-chloroacetyl chloride;2-methylpropanamide has a molecular weight of 200.06 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;2-methylpropanamide is sourced from PubChem (CID 174918876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).