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

C13H16Br2ClNO — CID 106169560

IUPAC3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H16Br2ClNO/c1-3-13(2,6-7-14)17-12(18)9-4-5-11(16)10(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyUTMVMYBAOCTDOX-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.79
Rot. Bonds5

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

3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide (PubChem CID 106169560) has the molecular formula C13H16Br2ClNO and a molecular weight of 397.54 g/mol. Its IUPAC name is 3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
PubChem CID106169560
Molecular FormulaC13H16Br2ClNO
Molecular Weight397.54 g/mol
Exact Mass394.93
IUPAC Name3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H16Br2ClNO/c1-3-13(2,6-7-14)17-12(18)9-4-5-11(16)10(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyUTMVMYBAOCTDOX-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.79
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

4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide
CID 114153164
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-5-chlorobenzamide
CID 106169473
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746
N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
CID 106169565
3-bromo-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 114303771
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106169604
4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106168914
N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 106169060
3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 107989693
N-(1-bromo-3-methylpentan-3-yl)-3-propoxybenzamide
CID 106169592
4-bromo-3-chloro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 81307457
3-bromo-N-(1-bromopentan-3-yl)-4-chlorobenzamide
CID 107994222

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide?
The IUPAC name of 3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide (CID 106169560) is 3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide is CCC(C)(CCBr)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide?
The InChIKey is UTMVMYBAOCTDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2ClNO/c1-3-13(2,6-7-14)17-12(18)9-4-5-11(16)10(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide?
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide has a molecular weight of 397.54 g/mol, XLogP of 4.79, 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-3-methylpentan-3-yl)-4-chlorobenzamide is sourced from PubChem (CID 106169560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).