3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide

C14H18BrCl2NO — CID 106355662

IUPAC3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCCl)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrCl2NO/c1-14(2,3)12(4-5-16)18-13(19)9-6-10(15)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,19)
InChIKeyLBLIVJNXBIHIJQ-UHFFFAOYSA-N
MW367.11 g/mol
LogP4.88
Rot. Bonds4

About 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide

3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106355662) has the molecular formula C14H18BrCl2NO and a molecular weight of 367.11 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106355662
Molecular FormulaC14H18BrCl2NO
Molecular Weight367.11 g/mol
Exact Mass364.99
IUPAC Name3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCCl)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrCl2NO/c1-14(2,3)12(4-5-16)18-13(19)9-6-10(15)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,19)
InChIKeyLBLIVJNXBIHIJQ-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 54.88
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-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355822
5-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridine-3-carboxamide
CID 106355742
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-nitrobenzamide
CID 106355593
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559
3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347896
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
3-[(3-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 107938291
3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144604
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethoxybenzamide
CID 106355606

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide (CID 106355662) is 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCCl)NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is LBLIVJNXBIHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2NO/c1-14(2,3)12(4-5-16)18-13(19)9-6-10(15)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 367.11 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106355662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).