N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide

C14H16BrF4NO — CID 106143455

IUPACN-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(C)(CCBr)CNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H16BrF4NO/c1-13(2,6-7-15)8-20-12(21)9-4-3-5-10(11(9)16)14(17,18)19/h3-5H,6-8H2,1-2H3,(H,20,21)
InChIKeyYULOXODVIRZHTO-UHFFFAOYSA-N
MW370.18 g/mol
LogP4.39
Rot. Bonds5

About N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide

N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 106143455) has the molecular formula C14H16BrF4NO and a molecular weight of 370.18 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID106143455
Molecular FormulaC14H16BrF4NO
Molecular Weight370.18 g/mol
Exact Mass369.04
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(C)(CCBr)CNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H16BrF4NO/c1-13(2,6-7-15)8-20-12(21)9-4-3-5-10(11(9)16)14(17,18)19/h3-5H,6-8H2,1-2H3,(H,20,21)
InChIKeyYULOXODVIRZHTO-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 106142634
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
CID 102685069
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide (CID 106143455) is N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide is CC(C)(CCBr)CNC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is YULOXODVIRZHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF4NO/c1-13(2,6-7-15)8-20-12(21)9-4-3-5-10(11(9)16)14(17,18)19/h3-5H,6-8H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide?
N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 370.18 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 106143455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).