2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide

C14H18F3NO2 — CID 86929041

IUPAC2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCOCC(F)(F)F)c(C)c1
InChIInChI=1S/C14H18F3NO2/c1-10-4-5-12(11(2)8-10)13(19)18-6-3-7-20-9-14(15,16)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyMZXXDWJJWMLLBH-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.00
Rot. Bonds6

About 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide

2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide (PubChem CID 86929041) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
PubChem CID86929041
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCOCC(F)(F)F)c(C)c1
InChIInChI=1S/C14H18F3NO2/c1-10-4-5-12(11(2)8-10)13(19)18-6-3-7-20-9-14(15,16)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyMZXXDWJJWMLLBH-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-methylbenzamide
CID 114171292
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
CID 95161709
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide (CID 86929041) is 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide is Cc1ccc(C(=O)NCCCOCC(F)(F)F)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide?
The InChIKey is MZXXDWJJWMLLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-10-4-5-12(11(2)8-10)13(19)18-6-3-7-20-9-14(15,16)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide?
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide has a molecular weight of 289.30 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide is sourced from PubChem (CID 86929041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).