2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide

C11H12F3NO — CID 78785997

IUPAC2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)c(C)c1
InChIInChI=1S/C11H12F3NO/c1-7-3-4-9(8(2)5-7)10(16)15-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyAHOPVERQXMKVSA-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.60
Rot. Bonds2

About 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide

2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78785997) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78785997
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)c(C)c1
InChIInChI=1S/C11H12F3NO/c1-7-3-4-9(8(2)5-7)10(16)15-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyAHOPVERQXMKVSA-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62509922
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 134217705
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
4-[(E)-hydroxyiminomethyl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 170943873
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide (CID 78785997) is 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(C(=O)NCC(F)(F)F)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AHOPVERQXMKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7-3-4-9(8(2)5-7)10(16)15-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide?
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 231.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78785997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).