5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide

C22H18BrCl2NO2 — CID 46762525

IUPAC5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C22H18BrCl2NO2/c23-17-7-9-21(28-11-10-15-4-2-1-3-5-15)19(12-17)22(27)26-14-16-6-8-18(24)13-20(16)25/h1-9,12-13H,10-11,14H2,(H,26,27)
InChIKeyYMZPEDJCFFJTGA-UHFFFAOYSA-N
MW479.20 g/mol
LogP6.31
Rot. Bonds7

About 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide

5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide (PubChem CID 46762525) has the molecular formula C22H18BrCl2NO2 and a molecular weight of 479.20 g/mol. Its IUPAC name is 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide
PubChem CID46762525
Molecular FormulaC22H18BrCl2NO2
Molecular Weight479.20 g/mol
Exact Mass476.99
IUPAC Name5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C22H18BrCl2NO2/c23-17-7-9-21(28-11-10-15-4-2-1-3-5-15)19(12-17)22(27)26-14-16-6-8-18(24)13-20(16)25/h1-9,12-13H,10-11,14H2,(H,26,27)
InChIKeyYMZPEDJCFFJTGA-UHFFFAOYSA-N
XLogP6.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.20
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide
CID 46762526
5-bromo-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 46762788
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17046139
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
CID 17046174
5-bromo-N-[(2,3-dichlorophenyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17046675
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
CID 47444968

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide (CID 46762525) is 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide is O=C(NCc1ccc(Cl)cc1Cl)c1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is YMZPEDJCFFJTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrCl2NO2/c23-17-7-9-21(28-11-10-15-4-2-1-3-5-15)19(12-17)22(27)26-14-16-6-8-18(24)13-20(16)25/h1-9,12-13H,10-11,14H2,(H,26,27).
What are the key properties of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide?
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 479.20 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 46762525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).