N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide

C10H9ClF3NO2 — CID 836486

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H9ClF3NO2/c1-17-5-9(16)15-8-4-6(10(12,13)14)2-3-7(8)11/h2-4H,5H2,1H3,(H,15,16)
InChIKeyNHPSRFRNDAQLBJ-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.94
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide (PubChem CID 836486) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide
PubChem CID836486
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H9ClF3NO2/c1-17-5-9(16)15-8-4-6(10(12,13)14)2-3-7(8)11/h2-4H,5H2,1H3,(H,15,16)
InChIKeyNHPSRFRNDAQLBJ-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide (CID 836486) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide?
The InChIKey is NHPSRFRNDAQLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-17-5-9(16)15-8-4-6(10(12,13)14)2-3-7(8)11/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide has a molecular weight of 267.63 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 836486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).