N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide

C13H17BrFNO — CID 114317772

IUPACN-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17BrFNO/c1-2-10(7-8-14)9-16-13(17)11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,16,17)
InChIKeyJTZSZNNUXUJXLN-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.37
Rot. Bonds6

About N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide

N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide (PubChem CID 114317772) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
PubChem CID114317772
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC NameN-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17BrFNO/c1-2-10(7-8-14)9-16-13(17)11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,16,17)
InChIKeyJTZSZNNUXUJXLN-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-ethylbutyl)-4-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

N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617
N-(4-bromo-2-ethylbutyl)-4-methylsulfanylbenzamide
CID 114317601
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
N-(4-bromo-2-ethylbutyl)-3-chloro-4-fluorobenzamide
CID 82878753
N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide
CID 114317757
3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
CID 81066397
N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 107016911
N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 114317633
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118
N-(4-bromo-2-ethylbutyl)-3-(trifluoromethyl)benzamide
CID 114317719
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide (CID 114317772) is N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide is CCC(CCBr)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide?
The InChIKey is JTZSZNNUXUJXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-2-10(7-8-14)9-16-13(17)11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide?
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide has a molecular weight of 302.19 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide is sourced from PubChem (CID 114317772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).