N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide

C16H14BrF2NO — CID 80655955

IUPACN-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide
SMILESO=C(c1cc(F)ccc1F)N(CCBr)Cc1ccccc1
InChIInChI=1S/C16H14BrF2NO/c17-8-9-20(11-12-4-2-1-3-5-12)16(21)14-10-13(18)6-7-15(14)19/h1-7,10H,8-9,11H2
InChIKeyOIYAPJQENHBDDP-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.00
Rot. Bonds5

About N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide

N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide (PubChem CID 80655955) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide
PubChem CID80655955
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC NameN-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide
SMILESO=C(c1cc(F)ccc1F)N(CCBr)Cc1ccccc1
InChIInChI=1S/C16H14BrF2NO/c17-8-9-20(11-12-4-2-1-3-5-12)16(21)14-10-13(18)6-7-15(14)19/h1-7,10H,8-9,11H2
InChIKeyOIYAPJQENHBDDP-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.00
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-benzyl-N-(2-bromoethyl)-2-fluoro-4-methylbenzamide
CID 80656052
N-benzyl-N-(2-bromoethyl)-5-chloro-2-methylbenzamide
CID 82875926
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
N-benzyl-N-(2-bromoethyl)-3,5-dihydroxybenzamide
CID 107705893
N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide
CID 80663058
N-benzyl-N-(2-bromoethyl)-2-methylpyridine-3-carboxamide
CID 80661556
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide?
The IUPAC name of N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide (CID 80655955) is N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide is O=C(c1cc(F)ccc1F)N(CCBr)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide?
The InChIKey is OIYAPJQENHBDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c17-8-9-20(11-12-4-2-1-3-5-12)16(21)14-10-13(18)6-7-15(14)19/h1-7,10H,8-9,11H2.
What are the key properties of N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide?
N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide has a molecular weight of 354.19 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide is sourced from PubChem (CID 80655955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).