3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide

C13H16Br2FNO — CID 106355254

IUPAC3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
SMILESCC(C)C(CCBr)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H16Br2FNO/c1-8(2)11(6-7-14)17-13(18)9-4-3-5-10(15)12(9)16/h3-5,8,11H,6-7H2,1-2H3,(H,17,18)
InChIKeyPWSXMLZYEJTRBY-UHFFFAOYSA-N
MW381.08 g/mol
LogP4.13
Rot. Bonds5

About 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide

3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide (PubChem CID 106355254) has the molecular formula C13H16Br2FNO and a molecular weight of 381.08 g/mol. Its IUPAC name is 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
PubChem CID106355254
Molecular FormulaC13H16Br2FNO
Molecular Weight381.08 g/mol
Exact Mass378.96
IUPAC Name3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
SMILESCC(C)C(CCBr)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H16Br2FNO/c1-8(2)11(6-7-14)17-13(18)9-4-3-5-10(15)12(9)16/h3-5,8,11H,6-7H2,1-2H3,(H,17,18)
InChIKeyPWSXMLZYEJTRBY-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.08
LogP ≤ 54.13
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-(1-bromo-4-methylpentan-3-yl)-2-chloro-3-fluorobenzamide
CID 114177751
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
2-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-iodobenzamide
CID 106355270
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 83179699
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
3-bromo-N-(1,1-dimethoxypropan-2-yl)-2-fluorobenzamide
CID 107951282
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106354949
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide (CID 106355254) is 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide is CC(C)C(CCBr)NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide?
The InChIKey is PWSXMLZYEJTRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2FNO/c1-8(2)11(6-7-14)17-13(18)9-4-3-5-10(15)12(9)16/h3-5,8,11H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide?
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide has a molecular weight of 381.08 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 106355254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).