N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide

C22H20BrNO2 — CID 17046109

IUPACN-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
SMILESO=C(NCc1ccccc1)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C22H20BrNO2/c23-19-11-12-21(26-14-13-17-7-3-1-4-8-17)20(15-19)22(25)24-16-18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,24,25)
InChIKeyZDOMMRPYHVKPGA-UHFFFAOYSA-N
MW410.31 g/mol
LogP5.00
Rot. Bonds7

About N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide

N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide (PubChem CID 17046109) has the molecular formula C22H20BrNO2 and a molecular weight of 410.31 g/mol. Its IUPAC name is N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
PubChem CID17046109
Molecular FormulaC22H20BrNO2
Molecular Weight410.31 g/mol
Exact Mass409.07
IUPAC NameN-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
SMILESO=C(NCc1ccccc1)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C22H20BrNO2/c23-19-11-12-21(26-14-13-17-7-3-1-4-8-17)20(15-19)22(25)24-16-18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,24,25)
InChIKeyZDOMMRPYHVKPGA-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide
CID 46762525
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
CID 17046174
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17046139
N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046888
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide (CID 17046109) is N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide is O=C(NCc1ccccc1)c1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide?
The InChIKey is ZDOMMRPYHVKPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO2/c23-19-11-12-21(26-14-13-17-7-3-1-4-8-17)20(15-19)22(25)24-16-18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,24,25).
What are the key properties of N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide?
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide has a molecular weight of 410.31 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17046109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).