N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide

C8H13Cl2NO — CID 12914710

IUPACN-butan-2-yl-N-(2,2-dichloroethenyl)acetamide
SMILESCCC(C)N(C=C(Cl)Cl)C(C)=O
InChIInChI=1S/C8H13Cl2NO/c1-4-6(2)11(7(3)12)5-8(9)10/h5-6H,4H2,1-3H3
InChIKeyVJMYGMAIWNIQMU-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.91
Rot. Bonds3

About N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide

N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide (PubChem CID 12914710) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2,2-dichloroethenyl)acetamide
PubChem CID12914710
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC NameN-butan-2-yl-N-(2,2-dichloroethenyl)acetamide
SMILESCCC(C)N(C=C(Cl)Cl)C(C)=O
InChIInChI=1S/C8H13Cl2NO/c1-4-6(2)11(7(3)12)5-8(9)10/h5-6H,4H2,1-3H3
InChIKeyVJMYGMAIWNIQMU-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

(E)-4-[di(butan-2-yl)amino]-4-oxobut-2-enoic acid
CID 139663107
N-[1-[acetyl(ethenyl)amino]propyl]-N-ethenylacetamide
CID 56990592
N-butan-2-yl-N-nitrosoacetamide
CID 87066540
N'-acetyl-N'-butan-2-ylacetohydrazide
CID 170007256
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
1,1-dichloropropane;propan-2-one
CID 174776719
acetic acid;2-methylbutane
CID 172862544
N-(2-formylbutyl)-N-methylacetamide
CID 12688089
3-[butan-2-yl(ethyl)amino]butan-2-one
CID 43795933
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide?
The IUPAC name of N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide (CID 12914710) is N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide.
What is the SMILES notation for N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide?
The canonical SMILES for N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide is CCC(C)N(C=C(Cl)Cl)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide?
The InChIKey is VJMYGMAIWNIQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c1-4-6(2)11(7(3)12)5-8(9)10/h5-6H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide?
N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide has a molecular weight of 210.10 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide is sourced from PubChem (CID 12914710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).