2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

C13H15F4NO — CID 79786127

IUPAC2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H15F4NO/c1-3-6-18(8-13(15,16)17)12(19)10-5-4-9(2)7-11(10)14/h4-5,7H,3,6,8H2,1-2H3
InChIKeyAGPRBKKMMXBNAF-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.55
Rot. Bonds4

About 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 79786127) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID79786127
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H15F4NO/c1-3-6-18(8-13(15,16)17)12(19)10-5-4-9(2)7-11(10)14/h4-5,7H,3,6,8H2,1-2H3
InChIKeyAGPRBKKMMXBNAF-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62511147
N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
2-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061
N-(2-chloroethyl)-2-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492183
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
CID 79667849
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (CID 79786127) is 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is CCCN(CC(F)(F)F)C(=O)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AGPRBKKMMXBNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-3-6-18(8-13(15,16)17)12(19)10-5-4-9(2)7-11(10)14/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 277.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 79786127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).