N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide

C15H11BrClF2NO — CID 82771671

IUPACN-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide
SMILESO=C(NC(CBr)c1ccccc1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H11BrClF2NO/c16-8-14(9-4-2-1-3-5-9)20-15(21)10-6-13(19)11(17)7-12(10)18/h1-7,14H,8H2,(H,20,21)
InChIKeyCGELOUGMUGEYFM-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.48
Rot. Bonds4

About N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide

N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide (PubChem CID 82771671) has the molecular formula C15H11BrClF2NO and a molecular weight of 374.61 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide
PubChem CID82771671
Molecular FormulaC15H11BrClF2NO
Molecular Weight374.61 g/mol
Exact Mass372.97
IUPAC NameN-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide
SMILESO=C(NC(CBr)c1ccccc1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H11BrClF2NO/c16-8-14(9-4-2-1-3-5-9)20-15(21)10-6-13(19)11(17)7-12(10)18/h1-7,14H,8H2,(H,20,21)
InChIKeyCGELOUGMUGEYFM-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
3-bromo-N-(2-bromo-1-phenylethyl)-2-fluorobenzamide
CID 107956724
N-(2-bromo-1-phenylethyl)-3-chloro-4-methylbenzamide
CID 114311152
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide
CID 113274731
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
3-[(2-chloro-4-fluorobenzoyl)amino]-3-phenylpropanoic acid
CID 16771773
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide (CID 82771671) is N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide is O=C(NC(CBr)c1ccccc1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide?
The InChIKey is CGELOUGMUGEYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF2NO/c16-8-14(9-4-2-1-3-5-9)20-15(21)10-6-13(19)11(17)7-12(10)18/h1-7,14H,8H2,(H,20,21).
What are the key properties of N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide?
N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide has a molecular weight of 374.61 g/mol, XLogP of 4.48, 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)-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 82771671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).