N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide

C12H13ClF3NO2 — CID 15708953

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H13ClF3NO2/c1-2-5-19-7-11(18)17-10-4-3-8(13)6-9(10)12(14,15)16/h3-4,6H,2,5,7H2,1H3,(H,17,18)
InChIKeyPRFIIMLQPHQGOC-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.72
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide (PubChem CID 15708953) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide
PubChem CID15708953
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H13ClF3NO2/c1-2-5-19-7-11(18)17-10-4-3-8(13)6-9(10)12(14,15)16/h3-4,6H,2,5,7H2,1H3,(H,17,18)
InChIKeyPRFIIMLQPHQGOC-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide (CID 15708953) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide is CCCOCC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide?
The InChIKey is PRFIIMLQPHQGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-2-5-19-7-11(18)17-10-4-3-8(13)6-9(10)12(14,15)16/h3-4,6H,2,5,7H2,1H3,(H,17,18).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide has a molecular weight of 295.69 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetamide is sourced from PubChem (CID 15708953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).