4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide

C14H19Br2NO — CID 114153164

IUPAC4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H19Br2NO/c1-4-14(3,7-8-15)17-13(18)11-5-6-12(16)10(2)9-11/h5-6,9H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyVMXQISZYQSBSOI-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.44
Rot. Bonds5

About 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide

4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide (PubChem CID 114153164) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide
PubChem CID114153164
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H19Br2NO/c1-4-14(3,7-8-15)17-13(18)11-5-6-12(16)10(2)9-11/h5-6,9H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyVMXQISZYQSBSOI-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.44
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-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
CID 106169560
4-bromo-N-(4-bromo-2,2-dimethylbutyl)-3-methylbenzamide
CID 114149394
3-bromo-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 114303771
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-5-chlorobenzamide
CID 106169473
4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106168914
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
N-(1-bromo-3-methylpentan-3-yl)-3-propoxybenzamide
CID 106169592
N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
CID 106169565
N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114314575
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide (CID 114153164) is 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide is CCC(C)(CCBr)NC(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide?
The InChIKey is VMXQISZYQSBSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-4-14(3,7-8-15)17-13(18)11-5-6-12(16)10(2)9-11/h5-6,9H,4,7-8H2,1-3H3,(H,17,18).
What are the key properties of 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide?
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide has a molecular weight of 377.12 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide is sourced from PubChem (CID 114153164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).