2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide

C11H12ClF2NO — CID 62226069

IUPAC2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1c(F)cccc1F
InChIInChI=1S/C11H12ClF2NO/c1-2-6-15-11(16)10(12)9-7(13)4-3-5-8(9)14/h3-5,10H,2,6H2,1H3,(H,15,16)
InChIKeyKPKJFYHYOHZKGF-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide

2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide (PubChem CID 62226069) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide
PubChem CID62226069
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1c(F)cccc1F
InChIInChI=1S/C11H12ClF2NO/c1-2-6-15-11(16)10(12)9-7(13)4-3-5-8(9)14/h3-5,10H,2,6H2,1H3,(H,15,16)
InChIKeyKPKJFYHYOHZKGF-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.77
H-Bond Donors ≤ 51
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-naphthalen-1-yl-N-propylacetamide
CID 62224763
2-chloro-2-(2-methylphenyl)-N-propylacetamide
CID 62224578
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide
CID 62319044
(E)-3-(2-chloro-6-fluorophenyl)-N-propylprop-2-enamide
CID 6176761
2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
CID 62224047
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
(2R)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100603912
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104916754
4-amino-2-(2-fluorophenyl)-N-propylbutanamide
CID 112515667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide?
The IUPAC name of 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide (CID 62226069) is 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide?
The canonical SMILES for 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide is CCCNC(=O)C(Cl)c1c(F)cccc1F.
What is the InChIKey of 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide?
The InChIKey is KPKJFYHYOHZKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-2-6-15-11(16)10(12)9-7(13)4-3-5-8(9)14/h3-5,10H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide?
2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide has a molecular weight of 247.67 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide is sourced from PubChem (CID 62226069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).