2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide

C13H15ClF3NO — CID 62225357

IUPAC2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15ClF3NO/c1-3-18(4-2)12(19)11(14)9-5-7-10(8-6-9)13(15,16)17/h5-8,11H,3-4H2,1-2H3
InChIKeyRVGXCNKUKJPCGM-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.85
Rot. Bonds4

About 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide

2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 62225357) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID62225357
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15ClF3NO/c1-3-18(4-2)12(19)11(14)9-5-7-10(8-6-9)13(15,16)17/h5-8,11H,3-4H2,1-2H3
InChIKeyRVGXCNKUKJPCGM-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
CID 106531991
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 88827170
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111183
N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
CID 110316778
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
1-[chloro(methoxy)methyl]-4-(trifluoromethyl)benzene
CID 15657440

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 62225357) is 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide is CCN(CC)C(=O)C(Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RVGXCNKUKJPCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-3-18(4-2)12(19)11(14)9-5-7-10(8-6-9)13(15,16)17/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 293.72 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 62225357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).