N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide

C11H12ClNO2 — CID 115166656

IUPACN-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
SMILESCN(CCc1ccc(Cl)cc1)C(=O)C=O
InChIInChI=1S/C11H12ClNO2/c1-13(11(15)8-14)7-6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyCOJBVEQDFNAIKY-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.54
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide

N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide (PubChem CID 115166656) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
PubChem CID115166656
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
SMILESCN(CCc1ccc(Cl)cc1)C(=O)C=O
InChIInChI=1S/C11H12ClNO2/c1-13(11(15)8-14)7-6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyCOJBVEQDFNAIKY-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
CID 115166756
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166420
(E)-4-[methyl-[2-(4-methylphenyl)ethyl]amino]-4-oxobut-2-enoic acid
CID 115177304
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158336
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
CID 115166755
N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195073
2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
CID 119760310
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide (CID 115166656) is N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide is CN(CCc1ccc(Cl)cc1)C(=O)C=O.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide?
The InChIKey is COJBVEQDFNAIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-13(11(15)8-14)7-6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide?
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide has a molecular weight of 225.68 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).