N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide

C15H12BrCl2NO — CID 114308255

IUPACN-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
SMILESO=C(NCC(Br)c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12BrCl2NO/c16-13(10-4-2-1-3-5-10)9-19-15(20)12-8-11(17)6-7-14(12)18/h1-8,13H,9H2,(H,19,20)
InChIKeyDASONHUKRBOSMG-UHFFFAOYSA-N
MW373.08 g/mol
LogP4.86
Rot. Bonds4

About N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide

N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide (PubChem CID 114308255) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
PubChem CID114308255
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC NameN-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
SMILESO=C(NCC(Br)c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12BrCl2NO/c16-13(10-4-2-1-3-5-10)9-19-15(20)12-8-11(17)6-7-14(12)18/h1-8,13H,9H2,(H,19,20)
InChIKeyDASONHUKRBOSMG-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.08
LogP ≤ 54.86
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-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
CID 113274151
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
N-(2-bromo-2-phenylethyl)-2-nitrobenzamide
CID 114308249
N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
CID 114316716

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide (CID 114308255) is N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide is O=C(NCC(Br)c1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide?
The InChIKey is DASONHUKRBOSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c16-13(10-4-2-1-3-5-10)9-19-15(20)12-8-11(17)6-7-14(12)18/h1-8,13H,9H2,(H,19,20).
What are the key properties of N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide?
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide has a molecular weight of 373.08 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide is sourced from PubChem (CID 114308255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).