5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide

C17H18BrNO3 — CID 17230351

IUPAC5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H18BrNO3/c1-3-22-16-9-6-13(18)10-15(16)17(20)19-11-12-4-7-14(21-2)8-5-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyUZWRISQVJPIELY-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.79
Rot. Bonds6

About 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide

5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 17230351) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID17230351
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H18BrNO3/c1-3-22-16-9-6-13(18)10-15(16)17(20)19-11-12-4-7-14(21-2)8-5-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyUZWRISQVJPIELY-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230348
5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 2214920
5-bromo-2-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
CID 17230582
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
4-bromo-N-[(4-methoxyphenyl)methyl]-2-(methylsulfanylmethyl)benzamide
CID 138574517
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 54776790
N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 17353041
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 17230351) is 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide is CCOc1ccc(Br)cc1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is UZWRISQVJPIELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-3-22-16-9-6-13(18)10-15(16)17(20)19-11-12-4-7-14(21-2)8-5-12/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide?
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 364.24 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 17230351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).