N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide

C14H19BrFNO — CID 113276417

IUPACN-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C14H19BrFNO/c1-3-11(6-7-15)9-17-14(18)12-5-4-10(2)8-13(12)16/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyZYBYFBJSBPFPLG-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.68
Rot. Bonds6

About N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide

N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide (PubChem CID 113276417) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide
PubChem CID113276417
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC NameN-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C14H19BrFNO/c1-3-11(6-7-15)9-17-14(18)12-5-4-10(2)8-13(12)16/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyZYBYFBJSBPFPLG-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.68
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

2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide
CID 114317834
N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 107016911
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-(4-bromo-2-ethylbutyl)-3-chloro-4-fluorobenzamide
CID 82878753
N-(3-chloro-2-methylpropyl)-2-fluoro-4-methylbenzamide
CID 114302822
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
CID 100527557
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114296047
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
CID 113276353
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide (CID 113276417) is N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide is CCC(CCBr)CNC(=O)c1ccc(C)cc1F.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide?
The InChIKey is ZYBYFBJSBPFPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-3-11(6-7-15)9-17-14(18)12-5-4-10(2)8-13(12)16/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide?
N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide has a molecular weight of 316.21 g/mol, XLogP of 3.68, 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)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 113276417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).