N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide

C12H11F6NO — CID 4737648

IUPACN-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(C)c(C(F)(F)F)cc(C(F)(F)F)c1C
InChIInChI=1S/C12H11F6NO/c1-5-8(11(13,14)15)4-9(12(16,17)18)6(2)10(5)19-7(3)20/h4H,1-3H3,(H,19,20)
InChIKeyNCWPKMZTLVATAV-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.30
Rot. Bonds1

About N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide

N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 4737648) has the molecular formula C12H11F6NO and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID4737648
Molecular FormulaC12H11F6NO
Molecular Weight299.21 g/mol
Exact Mass299.07
IUPAC NameN-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(C)c(C(F)(F)F)cc(C(F)(F)F)c1C
InChIInChI=1S/C12H11F6NO/c1-5-8(11(13,14)15)4-9(12(16,17)18)6(2)10(5)19-7(3)20/h4H,1-3H3,(H,19,20)
InChIKeyNCWPKMZTLVATAV-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 19810893
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
CID 14148742
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
methyl 2-acetamido-4-bromo-3-fluoro-5-(trifluoromethyl)benzoate
CID 164568816
bis[2-methyl-3,5-bis(trifluoromethyl)phenyl]methanone
CID 139698506
N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 11140927
N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 59636055
N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 23275300
N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide
CID 154143738
2-methyl-3,5-bis(trifluoromethyl)benzoic acid
CID 53430558

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide (CID 4737648) is N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1c(C)c(C(F)(F)F)cc(C(F)(F)F)c1C.
What is the InChIKey of N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is NCWPKMZTLVATAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO/c1-5-8(11(13,14)15)4-9(12(16,17)18)6(2)10(5)19-7(3)20/h4H,1-3H3,(H,19,20).
What are the key properties of N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide?
N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 299.21 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4737648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).