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

C24H23BrN2O3 — CID 17231903

IUPAC5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C24H23BrN2O3/c1-27(2)24(29)18-9-6-10-20(15-18)26-23(28)21-16-19(25)11-12-22(21)30-14-13-17-7-4-3-5-8-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,28)
InChIKeyWRDTZVFMDNSECV-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.02
Rot. Bonds7

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

5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (PubChem CID 17231903) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
PubChem CID17231903
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C24H23BrN2O3/c1-27(2)24(29)18-9-6-10-20(15-18)26-23(28)21-16-19(25)11-12-22(21)30-14-13-17-7-4-3-5-8-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,28)
InChIKeyWRDTZVFMDNSECV-UHFFFAOYSA-N
XLogP5.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227875
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640
5-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 26158208
5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17200032
5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227864
5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142257
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (CID 17231903) is 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is CN(C)C(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1.
What is the InChIKey of 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is WRDTZVFMDNSECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-27(2)24(29)18-9-6-10-20(15-18)26-23(28)21-16-19(25)11-12-22(21)30-14-13-17-7-4-3-5-8-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,28).
What are the key properties of 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 467.36 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17231903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).