N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide

C10H9ClFNO2 — CID 115166420

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCN(Cc1ccc(F)c(Cl)c1)C(=O)C=O
InChIInChI=1S/C10H9ClFNO2/c1-13(10(15)6-14)5-7-2-3-9(12)8(11)4-7/h2-4,6H,5H2,1H3
InChIKeyWBAPNOYULLHQHK-UHFFFAOYSA-N
MW229.64 g/mol
LogP1.64
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide

N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide (PubChem CID 115166420) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
PubChem CID115166420
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCN(Cc1ccc(F)c(Cl)c1)C(=O)C=O
InChIInChI=1S/C10H9ClFNO2/c1-13(10(15)6-14)5-7-2-3-9(12)8(11)4-7/h2-4,6H,5H2,1H3
InChIKeyWBAPNOYULLHQHK-UHFFFAOYSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 51.64
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

3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139194
N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157979
N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166333
N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]-2-oxoacetamide
CID 115166473
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 115181647
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166656
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195073
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
1-(3-chloro-4-fluorophenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263220
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166361

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide (CID 115166420) is N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide is CN(Cc1ccc(F)c(Cl)c1)C(=O)C=O.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide?
The InChIKey is WBAPNOYULLHQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c1-13(10(15)6-14)5-7-2-3-9(12)8(11)4-7/h2-4,6H,5H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide has a molecular weight of 229.64 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).