N-(5-bromopentan-2-yl)-2,5-difluorobenzamide

C12H14BrF2NO — CID 114316646

IUPACN-(5-bromopentan-2-yl)-2,5-difluorobenzamide
SMILESCC(CCCBr)NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H14BrF2NO/c1-8(3-2-6-13)16-12(17)10-7-9(14)4-5-11(10)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyWPMDPFPGXALCLU-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.26
Rot. Bonds5

About N-(5-bromopentan-2-yl)-2,5-difluorobenzamide

N-(5-bromopentan-2-yl)-2,5-difluorobenzamide (PubChem CID 114316646) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-2,5-difluorobenzamide
PubChem CID114316646
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC NameN-(5-bromopentan-2-yl)-2,5-difluorobenzamide
SMILESCC(CCCBr)NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H14BrF2NO/c1-8(3-2-6-13)16-12(17)10-7-9(14)4-5-11(10)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyWPMDPFPGXALCLU-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.26
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-bromobutan-2-yl)-2,5-difluorobenzamide
CID 83180348
N-(4-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 83188294
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
5-bromo-2-fluoro-N-octan-2-ylbenzamide
CID 55222984
N-(5-bromopentan-2-yl)-2-fluoro-4-nitrobenzamide
CID 114316520
4-bromo-N-(5-bromopentan-2-yl)-2,6-difluorobenzamide
CID 113276091
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042
2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636187
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 60795149

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-2,5-difluorobenzamide?
The IUPAC name of N-(5-bromopentan-2-yl)-2,5-difluorobenzamide (CID 114316646) is N-(5-bromopentan-2-yl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-2,5-difluorobenzamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-2,5-difluorobenzamide is CC(CCCBr)NC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(5-bromopentan-2-yl)-2,5-difluorobenzamide?
The InChIKey is WPMDPFPGXALCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c1-8(3-2-6-13)16-12(17)10-7-9(14)4-5-11(10)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17).
What are the key properties of N-(5-bromopentan-2-yl)-2,5-difluorobenzamide?
N-(5-bromopentan-2-yl)-2,5-difluorobenzamide has a molecular weight of 306.15 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 114316646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).