N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C11H9ClF3NO2 — CID 57118427

IUPACN-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3NO2/c1-6(17)16(7(2)18)10-5-8(11(13,14)15)3-4-9(10)12/h3-5H,1-2H3
InChIKeyIVLVSHURAZURLV-UHFFFAOYSA-N
MW279.65 g/mol
LogP3.26
Rot. Bonds1

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

N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 57118427) has the molecular formula C11H9ClF3NO2 and a molecular weight of 279.65 g/mol. Its IUPAC name is N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID57118427
Molecular FormulaC11H9ClF3NO2
Molecular Weight279.65 g/mol
Exact Mass279.03
IUPAC NameN-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3NO2/c1-6(17)16(7(2)18)10-5-8(11(13,14)15)3-4-9(10)12/h3-5H,1-2H3
InChIKeyIVLVSHURAZURLV-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 57118427) is N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is CC(=O)N(C(C)=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IVLVSHURAZURLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO2/c1-6(17)16(7(2)18)10-5-8(11(13,14)15)3-4-9(10)12/h3-5H,1-2H3.
What are the key properties of N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 279.65 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 57118427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).