N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide

C10H8ClF2NO2 — CID 138485796

IUPACN-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide
SMILESCC(=O)Nc1c(F)ccc(C(=O)CCl)c1F
InChIInChI=1S/C10H8ClF2NO2/c1-5(15)14-10-7(12)3-2-6(9(10)13)8(16)4-11/h2-3H,4H2,1H3,(H,14,15)
InChIKeyUGZUJUMXSIELFJ-UHFFFAOYSA-N
MW247.63 g/mol
LogP2.34
Rot. Bonds3

About N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide

N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide (PubChem CID 138485796) has the molecular formula C10H8ClF2NO2 and a molecular weight of 247.63 g/mol. Its IUPAC name is N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide
PubChem CID138485796
Molecular FormulaC10H8ClF2NO2
Molecular Weight247.63 g/mol
Exact Mass247.02
IUPAC NameN-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide
SMILESCC(=O)Nc1c(F)ccc(C(=O)CCl)c1F
InChIInChI=1S/C10H8ClF2NO2/c1-5(15)14-10-7(12)3-2-6(9(10)13)8(16)4-11/h2-3H,4H2,1H3,(H,14,15)
InChIKeyUGZUJUMXSIELFJ-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide
CID 138485782
3-acetamido-2,4-difluorobenzamide
CID 154632543
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
N-[3-(2-chloro-1-hydroxyethyl)-2,6-difluorophenyl]acetamide
CID 138485861
2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone
CID 130769171
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
2-chloro-1-(2-chloro-3-fluoro-4-methylphenyl)ethanone
CID 130775332
2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone
CID 130968300
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725
N-(2,6-difluoro-3-formamidophenyl)acetamide
CID 168651959
N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide
CID 105481705
2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
CID 171018656

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide?
The IUPAC name of N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide (CID 138485796) is N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide.
What is the SMILES notation for N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide?
The canonical SMILES for N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide is CC(=O)Nc1c(F)ccc(C(=O)CCl)c1F.
What is the InChIKey of N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide?
The InChIKey is UGZUJUMXSIELFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO2/c1-5(15)14-10-7(12)3-2-6(9(10)13)8(16)4-11/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide?
N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide has a molecular weight of 247.63 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide is sourced from PubChem (CID 138485796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).