N-benzyl-2,2-dichloro-N-prop-2-enylacetamide

C12H13Cl2NO — CID 10083827

IUPACN-benzyl-2,2-dichloro-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1)C(=O)C(Cl)Cl
InChIInChI=1S/C12H13Cl2NO/c1-2-8-15(12(16)11(13)14)9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyWZZBXOMSMQZTAA-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.00
Rot. Bonds5

About N-benzyl-2,2-dichloro-N-prop-2-enylacetamide

N-benzyl-2,2-dichloro-N-prop-2-enylacetamide (PubChem CID 10083827) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is N-benzyl-2,2-dichloro-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-benzyl-2,2-dichloro-N-prop-2-enylacetamide
PubChem CID10083827
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC NameN-benzyl-2,2-dichloro-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1)C(=O)C(Cl)Cl
InChIInChI=1S/C12H13Cl2NO/c1-2-8-15(12(16)11(13)14)9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyWZZBXOMSMQZTAA-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
CID 71369406
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
sodium N-benzyl-N-prop-2-enylcarbamodithioate
CID 118484135
N,N-dibenzylbut-3-enamide
CID 134848345
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
CID 66486277
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
1-benzyl-3-(2-methylsulfanylphenyl)-1-prop-2-enylurea
CID 86987076
N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide
CID 100948475

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dichloro-N-prop-2-enylacetamide?
The IUPAC name of N-benzyl-2,2-dichloro-N-prop-2-enylacetamide (CID 10083827) is N-benzyl-2,2-dichloro-N-prop-2-enylacetamide.
What is the SMILES notation for N-benzyl-2,2-dichloro-N-prop-2-enylacetamide?
The canonical SMILES for N-benzyl-2,2-dichloro-N-prop-2-enylacetamide is C=CCN(Cc1ccccc1)C(=O)C(Cl)Cl.
What is the InChIKey of N-benzyl-2,2-dichloro-N-prop-2-enylacetamide?
The InChIKey is WZZBXOMSMQZTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-2-8-15(12(16)11(13)14)9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2.
What are the key properties of N-benzyl-2,2-dichloro-N-prop-2-enylacetamide?
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide has a molecular weight of 258.15 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dichloro-N-prop-2-enylacetamide is sourced from PubChem (CID 10083827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).