2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide

C10H11ClFNO — CID 126789693

IUPAC2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO/c1-13(2)10(14)5-7-3-4-8(12)6-9(7)11/h3-4,6H,5H2,1-2H3
InChIKeyHWFMJFFAEQGGHS-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.11
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide

2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide (PubChem CID 126789693) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
PubChem CID126789693
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO/c1-13(2)10(14)5-7-3-4-8(12)6-9(7)11/h3-4,6H,5H2,1-2H3
InChIKeyHWFMJFFAEQGGHS-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047987
N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
CID 166179956
2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119320659
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(2-chloro-4-fluorophenyl)-3-methylpentan-2-one
CID 63717028
1-(2-chloro-4-fluorophenyl)-5,5-dimethylhexan-2-one
CID 63034237
ethyl 4-(2-chloro-4-fluorophenyl)-2-ethyl-3-oxobutanoate
CID 63038093
2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide
CID 130276365
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107512602
3-amino-1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-one
CID 116611484
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide (CID 126789693) is 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide?
The InChIKey is HWFMJFFAEQGGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-13(2)10(14)5-7-3-4-8(12)6-9(7)11/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide?
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide has a molecular weight of 215.66 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 126789693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).