3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide

C13H16Br3NO — CID 107975115

IUPAC3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CBr)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H16Br3NO/c1-8(2)3-12(7-14)17-13(18)9-4-10(15)6-11(16)5-9/h4-6,8,12H,3,7H2,1-2H3,(H,17,18)
InChIKeyFLNRUFSDWGMRHA-UHFFFAOYSA-N
MW441.99 g/mol
LogP4.75
Rot. Bonds5

About 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide

3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide (PubChem CID 107975115) has the molecular formula C13H16Br3NO and a molecular weight of 441.99 g/mol. Its IUPAC name is 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide
PubChem CID107975115
Molecular FormulaC13H16Br3NO
Molecular Weight441.99 g/mol
Exact Mass438.88
IUPAC Name3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CBr)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H16Br3NO/c1-8(2)3-12(7-14)17-13(18)9-4-10(15)6-11(16)5-9/h4-6,8,12H,3,7H2,1-2H3,(H,17,18)
InChIKeyFLNRUFSDWGMRHA-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.99
LogP ≤ 54.75
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

3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3-bromo-N-(1-bromobutan-2-yl)-5-nitrobenzamide
CID 114307736
3-bromo-5-methyl-N-pentan-3-ylbenzamide
CID 104851702
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
N-(1-bromo-4-methylpentan-2-yl)-3-methylsulfonylbenzamide
CID 114311708
(2R)-2-[(3-bromo-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 113460489

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide (CID 107975115) is 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide is CC(C)CC(CBr)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide?
The InChIKey is FLNRUFSDWGMRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br3NO/c1-8(2)3-12(7-14)17-13(18)9-4-10(15)6-11(16)5-9/h4-6,8,12H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide?
3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide has a molecular weight of 441.99 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 107975115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).