4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide

C14H18Br2FNO — CID 107156635

IUPAC4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide
SMILESCC(C)(C)CC(Br)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H18Br2FNO/c1-14(2,3)7-10(16)8-18-13(19)11-5-4-9(15)6-12(11)17/h4-6,10H,7-8H2,1-3H3,(H,18,19)
InChIKeyZOJQJKHGSRIURK-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.52
Rot. Bonds4

About 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide

4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide (PubChem CID 107156635) has the molecular formula C14H18Br2FNO and a molecular weight of 395.11 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide
PubChem CID107156635
Molecular FormulaC14H18Br2FNO
Molecular Weight395.11 g/mol
Exact Mass392.97
IUPAC Name4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide
SMILESCC(C)(C)CC(Br)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H18Br2FNO/c1-14(2,3)7-10(16)8-18-13(19)11-5-4-9(15)6-12(11)17/h4-6,10H,7-8H2,1-3H3,(H,18,19)
InChIKeyZOJQJKHGSRIURK-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9089971
N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide
CID 107156586
N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
CID 107941541
2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 104929813

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide (CID 107156635) is 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide is CC(C)(C)CC(Br)CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide?
The InChIKey is ZOJQJKHGSRIURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2FNO/c1-14(2,3)7-10(16)8-18-13(19)11-5-4-9(15)6-12(11)17/h4-6,10H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide?
4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide has a molecular weight of 395.11 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide is sourced from PubChem (CID 107156635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).