5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide

C21H15BrCl3NO2 — CID 17046139

IUPAC5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C21H15BrCl3NO2/c22-14-6-7-20(28-9-8-13-4-2-1-3-5-13)15(10-14)21(27)26-19-12-17(24)16(23)11-18(19)25/h1-7,10-12H,8-9H2,(H,26,27)
InChIKeyBNANRKPKVQKYFA-UHFFFAOYSA-N
MW499.62 g/mol
LogP7.28
Rot. Bonds6

About 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide

5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 17046139) has the molecular formula C21H15BrCl3NO2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID17046139
Molecular FormulaC21H15BrCl3NO2
Molecular Weight499.62 g/mol
Exact Mass496.94
IUPAC Name5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C21H15BrCl3NO2/c22-14-6-7-20(28-9-8-13-4-2-1-3-5-13)15(10-14)21(27)26-19-12-17(24)16(23)11-18(19)25/h1-7,10-12H,8-9H2,(H,26,27)
InChIKeyBNANRKPKVQKYFA-UHFFFAOYSA-N
XLogP7.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
CID 17046174
5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide
CID 17174595
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-N-[(2,3-dichlorophenyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17046675
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide
CID 46762525
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide (CID 17046139) is 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is BNANRKPKVQKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrCl3NO2/c22-14-6-7-20(28-9-8-13-4-2-1-3-5-13)15(10-14)21(27)26-19-12-17(24)16(23)11-18(19)25/h1-7,10-12H,8-9H2,(H,26,27).
What are the key properties of 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide?
5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 499.62 g/mol, XLogP of 7.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 17046139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).