3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide

C11H11ClF3NO — CID 110480868

IUPAC3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide
SMILESO=C(CCCl)NCCc1c(F)cc(F)cc1F
InChIInChI=1S/C11H11ClF3NO/c12-3-1-11(17)16-4-2-8-9(14)5-7(13)6-10(8)15/h5-6H,1-4H2,(H,16,17)
InChIKeyVZWUXNMGKZFADO-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.39
Rot. Bonds5

About 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide

3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide (PubChem CID 110480868) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide
PubChem CID110480868
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide
SMILESO=C(CCCl)NCCc1c(F)cc(F)cc1F
InChIInChI=1S/C11H11ClF3NO/c12-3-1-11(17)16-4-2-8-9(14)5-7(13)6-10(8)15/h5-6H,1-4H2,(H,16,17)
InChIKeyVZWUXNMGKZFADO-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.39
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

3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid
CID 110487520
N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4-oxobutanamide;methanamine
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3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
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3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
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3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
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3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide (CID 110480868) is 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide is O=C(CCCl)NCCc1c(F)cc(F)cc1F.
What is the InChIKey of 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide?
The InChIKey is VZWUXNMGKZFADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c12-3-1-11(17)16-4-2-8-9(14)5-7(13)6-10(8)15/h5-6H,1-4H2,(H,16,17).
What are the key properties of 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide?
3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide has a molecular weight of 265.66 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide is sourced from PubChem (CID 110480868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).