N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide

C15H12BrCl2NO — CID 114311124

IUPACN-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
SMILESO=C(NC(CBr)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2NO/c16-9-14(10-4-2-1-3-5-10)19-15(20)12-7-6-11(17)8-13(12)18/h1-8,14H,9H2,(H,19,20)
InChIKeyGUHCGZGIOCTNJF-UHFFFAOYSA-N
MW373.08 g/mol
LogP4.86
Rot. Bonds4

About N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide

N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide (PubChem CID 114311124) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
PubChem CID114311124
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC NameN-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
SMILESO=C(NC(CBr)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2NO/c16-9-14(10-4-2-1-3-5-10)19-15(20)12-7-6-11(17)8-13(12)18/h1-8,14H,9H2,(H,19,20)
InChIKeyGUHCGZGIOCTNJF-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-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide
CID 82771671
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide
CID 113274731
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091
N-(2-bromo-1-phenylethyl)-3-chloro-4-methylbenzamide
CID 114311152
3-[(2-chloro-4-fluorobenzoyl)amino]-3-phenylpropanoic acid
CID 16771773
2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 106863896
2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
CID 107988137
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide (CID 114311124) is N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide is O=C(NC(CBr)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide?
The InChIKey is GUHCGZGIOCTNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c16-9-14(10-4-2-1-3-5-10)19-15(20)12-7-6-11(17)8-13(12)18/h1-8,14H,9H2,(H,19,20).
What are the key properties of N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide?
N-(2-bromo-1-phenylethyl)-2,4-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-1-phenylethyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 114311124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).