2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide

C11H9F6NO — CID 22370523

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F6NO/c1-18-9(19)4-6-2-7(10(12,13)14)5-8(3-6)11(15,16)17/h2-3,5H,4H2,1H3,(H,18,19)
InChIKeyPKMAKQBFWJVOKQ-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.01
Rot. Bonds2

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide (PubChem CID 22370523) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
PubChem CID22370523
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F6NO/c1-18-9(19)4-6-2-7(10(12,13)14)5-8(3-6)11(15,16)17/h2-3,5H,4H2,1H3,(H,18,19)
InChIKeyPKMAKQBFWJVOKQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 130381501
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
3-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 123596150
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]propan-2-one;ethene
CID 142885636
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
2-(3,5-dihydroxyphenyl)-N-methylacetamide
CID 90280420
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805
ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxopropanoate
CID 18370574
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
1-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]propan-2-one
CID 118832375
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide (CID 22370523) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide is CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide?
The InChIKey is PKMAKQBFWJVOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO/c1-18-9(19)4-6-2-7(10(12,13)14)5-8(3-6)11(15,16)17/h2-3,5H,4H2,1H3,(H,18,19).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide has a molecular weight of 285.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 22370523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).