N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide

C15H20BrF2NO — CID 106254991

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H20BrF2NO/c1-4-15(5-2,8-16)9-19-14(20)11-6-10(3)12(17)7-13(11)18/h6-7H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyLGVWEZCVDZIFAR-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide

N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide (PubChem CID 106254991) has the molecular formula C15H20BrF2NO and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide
PubChem CID106254991
Molecular FormulaC15H20BrF2NO
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H20BrF2NO/c1-4-15(5-2,8-16)9-19-14(20)11-6-10(3)12(17)7-13(11)18/h6-7H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyLGVWEZCVDZIFAR-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.20
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

N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
CID 106255574
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 114164719
N-[2-(bromomethyl)-2-ethylbutyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106255706
N-(5-bromo-2,2-dimethylpentyl)-2,4-difluoro-5-methylbenzamide
CID 106145115
2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide
CID 106254833
N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 107322118
N-[2-(bromomethyl)-2-ethylbutyl]-2-chloro-3-methylbenzamide
CID 114164820
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725
N-(3-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 113497969
N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide
CID 106255765
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-3-methylbenzamide
CID 106255744

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide (CID 106254991) is N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide is CCC(CC)(CBr)CNC(=O)c1cc(C)c(F)cc1F.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide?
The InChIKey is LGVWEZCVDZIFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2NO/c1-4-15(5-2,8-16)9-19-14(20)11-6-10(3)12(17)7-13(11)18/h6-7H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide?
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide has a molecular weight of 348.23 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide is sourced from PubChem (CID 106254991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).