2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide

C12H14ClF2NO — CID 106531991

IUPAC2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C12H14ClF2NO/c1-3-16(4-2)12(17)11(13)8-5-9(14)7-10(15)6-8/h5-7,11H,3-4H2,1-2H3
InChIKeyKAUIGYWPDCNYHP-UHFFFAOYSA-N
MW261.70 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide

2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide (PubChem CID 106531991) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
PubChem CID106531991
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC Name2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C12H14ClF2NO/c1-3-16(4-2)12(17)11(13)8-5-9(14)7-10(15)6-8/h5-7,11H,3-4H2,1-2H3
InChIKeyKAUIGYWPDCNYHP-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 53.11
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

ethyl 2-chloro-2-(3,5-difluorophenyl)acetate
CID 106531981
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62225357
2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide
CID 114454641
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-chloro-N,N-diethylacetamide
CID 62224443
2,2-dichloro-N,N-diethylacetamide
CID 141409453
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250
2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide
CID 102844190
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 106528971
N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide
CID 54352483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide?
The IUPAC name of 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide (CID 106531991) is 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide?
The canonical SMILES for 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide is CCN(CC)C(=O)C(Cl)c1cc(F)cc(F)c1.
What is the InChIKey of 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide?
The InChIKey is KAUIGYWPDCNYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c1-3-16(4-2)12(17)11(13)8-5-9(14)7-10(15)6-8/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide?
2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide has a molecular weight of 261.70 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide is sourced from PubChem (CID 106531991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).