N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide

C14H18BrF2NO — CID 106255574

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18BrF2NO/c1-3-14(4-2,8-15)9-18-13(19)11-6-5-10(16)7-12(11)17/h5-7H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyMKLQHVYTNWBOKZ-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.90
Rot. Bonds6

About N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide

N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide (PubChem CID 106255574) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
PubChem CID106255574
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18BrF2NO/c1-3-14(4-2,8-15)9-18-13(19)11-6-5-10(16)7-12(11)17/h5-7H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyMKLQHVYTNWBOKZ-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.90
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-difluoro-5-methylbenzamide
CID 106254991
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806
N-[2-(bromomethyl)-2-ethylbutyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106255706
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 114164719
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
CID 106255094
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725
N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide
CID 106255765
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide (CID 106255574) is N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide is CCC(CC)(CBr)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide?
The InChIKey is MKLQHVYTNWBOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c1-3-14(4-2,8-15)9-18-13(19)11-6-5-10(16)7-12(11)17/h5-7H,3-4,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide?
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide has a molecular weight of 334.20 g/mol, XLogP of 3.90, 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-difluorobenzamide is sourced from PubChem (CID 106255574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).