N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

C14H17F4NO — CID 80719091

IUPACN-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cccc(C)c1F
InChIInChI=1S/C14H17F4NO/c1-3-4-8-19(9-14(16,17)18)13(20)11-7-5-6-10(2)12(11)15/h5-7H,3-4,8-9H2,1-2H3
InChIKeyGCQVGHSYABTOTG-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.94
Rot. Bonds5

About N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 80719091) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID80719091
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC NameN-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cccc(C)c1F
InChIInChI=1S/C14H17F4NO/c1-3-4-8-19(9-14(16,17)18)13(20)11-7-5-6-10(2)12(11)15/h5-7H,3-4,8-9H2,1-2H3
InChIKeyGCQVGHSYABTOTG-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 113240838
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide
CID 91731414
2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 91731393
2,5-dibromo-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 114371542
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
2-methyl-N,N-dipentylbenzamide
CID 4576290
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 80719091) is N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCCCN(CC(F)(F)F)C(=O)c1cccc(C)c1F.
What is the InChIKey of N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GCQVGHSYABTOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-3-4-8-19(9-14(16,17)18)13(20)11-7-5-6-10(2)12(11)15/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 291.29 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 80719091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).