N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide

C11H12BrF2NO — CID 80661130

IUPACN-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
SMILESCCN(CCBr)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12BrF2NO/c1-2-15(6-5-12)11(16)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3
InChIKeyBQUIUVMFNYAHNH-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.82
Rot. Bonds4

About N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide

N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide (PubChem CID 80661130) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
PubChem CID80661130
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
SMILESCCN(CCBr)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12BrF2NO/c1-2-15(6-5-12)11(16)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3
InChIKeyBQUIUVMFNYAHNH-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-(2-bromoethyl)-N-ethyl-2-fluoro-4-nitrobenzamide
CID 80660162
N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677720
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
CID 54987846
N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 80661347
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
CID 91717088
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
N,N,4-triethyl-2-fluorobenzamide
CID 69055558

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide (CID 80661130) is N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide is CCN(CCBr)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide?
The InChIKey is BQUIUVMFNYAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-2-15(6-5-12)11(16)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide?
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide has a molecular weight of 292.12 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide is sourced from PubChem (CID 80661130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).