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

C11H12ClF3N2O — CID 1255941

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O/c1-17(2)6-10(18)16-9-5-7(11(13,14)15)3-4-8(9)12/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyWBAVFTVKIGUYTL-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.86
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide (PubChem CID 1255941) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
PubChem CID1255941
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O/c1-17(2)6-10(18)16-9-5-7(11(13,14)15)3-4-8(9)12/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyWBAVFTVKIGUYTL-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.86
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-(dimethylamino)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide (CID 1255941) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide?
The InChIKey is WBAVFTVKIGUYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-17(2)6-10(18)16-9-5-7(11(13,14)15)3-4-8(9)12/h3-5H,6H2,1-2H3,(H,16,18).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide has a molecular weight of 280.68 g/mol, XLogP of 2.86, 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-(dimethylamino)acetamide is sourced from PubChem (CID 1255941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).