3,3-dichlorobutanamide

C4H7Cl2NO — CID 57160976

IUPAC3,3-dichlorobutanamide
SMILESCC(Cl)(Cl)CC(N)=O
InChIInChI=1S/C4H7Cl2NO/c1-4(5,6)2-3(7)8/h2H2,1H3,(H2,7,8)
InChIKeyTZERVIGEZSVBKY-UHFFFAOYSA-N
MW156.01 g/mol
LogP1.06
Rot. Bonds2

About 3,3-dichlorobutanamide

3,3-dichlorobutanamide (PubChem CID 57160976) has the molecular formula C4H7Cl2NO and a molecular weight of 156.01 g/mol. Its IUPAC name is 3,3-dichlorobutanamide.

Molecular Properties

Compound Name3,3-dichlorobutanamide
PubChem CID57160976
Molecular FormulaC4H7Cl2NO
Molecular Weight156.01 g/mol
Exact Mass154.99
IUPAC Name3,3-dichlorobutanamide
SMILESCC(Cl)(Cl)CC(N)=O
InChIInChI=1S/C4H7Cl2NO/c1-4(5,6)2-3(7)8/h2H2,1H3,(H2,7,8)
InChIKeyTZERVIGEZSVBKY-UHFFFAOYSA-N
XLogP1.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.01
LogP ≤ 51.06
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

3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3,3-dichlorobutanoic acid
CID 56997062
2,2-dichloropropyl carbamate
CID 146611343
3,3-dimethylbutanamide;2-methanidyl-2-methylpropane;yttrium
CID 154649078
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040
3,3,11,11-tetramethyltridecanediamide
CID 91353745
3-amino-3-methoxybutanamide
CID 91277688
2-chloro-2-methylpropanamide;hydrochloride
CID 141117317
3-cyclopropyl-3-methylbutanamide
CID 119056827
N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide
CID 130754670
3-methyl-3-(methylamino)pentanamide
CID 65236243
3-methyl-3-propylsulfanylbutanamide
CID 134505082

Frequently Asked Questions

What is the IUPAC name of 3,3-dichlorobutanamide?
The IUPAC name of 3,3-dichlorobutanamide (CID 57160976) is 3,3-dichlorobutanamide.
What is the SMILES notation for 3,3-dichlorobutanamide?
The canonical SMILES for 3,3-dichlorobutanamide is CC(Cl)(Cl)CC(N)=O.
What is the InChIKey of 3,3-dichlorobutanamide?
The InChIKey is TZERVIGEZSVBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2NO/c1-4(5,6)2-3(7)8/h2H2,1H3,(H2,7,8).
What are the key properties of 3,3-dichlorobutanamide?
3,3-dichlorobutanamide has a molecular weight of 156.01 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichlorobutanamide is sourced from PubChem (CID 57160976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).