5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide

C22H20BrNO3 — CID 17142257

IUPAC5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H20BrNO3/c1-26-21-11-10-17(23)14-20(21)22(25)24-18-8-5-9-19(15-18)27-13-12-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,24,25)
InChIKeyFHQPKZSGNFQWIQ-UHFFFAOYSA-N
MW426.31 g/mol
LogP5.33
Rot. Bonds7

About 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide

5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide (PubChem CID 17142257) has the molecular formula C22H20BrNO3 and a molecular weight of 426.31 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
PubChem CID17142257
Molecular FormulaC22H20BrNO3
Molecular Weight426.31 g/mol
Exact Mass425.06
IUPAC Name5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H20BrNO3/c1-26-21-11-10-17(23)14-20(21)22(25)24-18-8-5-9-19(15-18)27-13-12-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,24,25)
InChIKeyFHQPKZSGNFQWIQ-UHFFFAOYSA-N
XLogP5.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780
5-bromo-2-butoxy-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17142365
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17231903
5-bromo-2-butoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17133425
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide (CID 17142257) is 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide is COc1ccc(Br)cc1C(=O)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide?
The InChIKey is FHQPKZSGNFQWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO3/c1-26-21-11-10-17(23)14-20(21)22(25)24-18-8-5-9-19(15-18)27-13-12-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,24,25).
What are the key properties of 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide?
5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide has a molecular weight of 426.31 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide is sourced from PubChem (CID 17142257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).