N-(4-bromobutan-2-yl)-2,5-difluorobenzamide

C11H12BrF2NO — CID 83180348

IUPACN-(4-bromobutan-2-yl)-2,5-difluorobenzamide
SMILESCC(CCBr)NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H12BrF2NO/c1-7(4-5-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyQQKUYIBCMGAXDY-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.87
Rot. Bonds4

About N-(4-bromobutan-2-yl)-2,5-difluorobenzamide

N-(4-bromobutan-2-yl)-2,5-difluorobenzamide (PubChem CID 83180348) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-2,5-difluorobenzamide
PubChem CID83180348
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-(4-bromobutan-2-yl)-2,5-difluorobenzamide
SMILESCC(CCBr)NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H12BrF2NO/c1-7(4-5-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyQQKUYIBCMGAXDY-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.87
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-(5-bromopentan-2-yl)-2,5-difluorobenzamide
CID 114316646
N-(4-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 83188294
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 60795149
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 83179699
N-(1-chloro-4-methylpentan-2-yl)-2,5-difluorobenzamide
CID 113272540
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044
2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636187

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-2,5-difluorobenzamide?
The IUPAC name of N-(4-bromobutan-2-yl)-2,5-difluorobenzamide (CID 83180348) is N-(4-bromobutan-2-yl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-2,5-difluorobenzamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-2,5-difluorobenzamide is CC(CCBr)NC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(4-bromobutan-2-yl)-2,5-difluorobenzamide?
The InChIKey is QQKUYIBCMGAXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-7(4-5-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(4-bromobutan-2-yl)-2,5-difluorobenzamide?
N-(4-bromobutan-2-yl)-2,5-difluorobenzamide has a molecular weight of 292.12 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 83180348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).