3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide

C18H20BrNO3 — CID 7916792

IUPAC3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(C)cc2)cc(Br)c1OC
InChIInChI=1S/C18H20BrNO3/c1-4-23-16-10-14(9-15(19)17(16)22-3)18(21)20-11-13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyVIDXWUILXOWJJH-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.09
Rot. Bonds6

About 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide

3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 7916792) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID7916792
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(C)cc2)cc(Br)c1OC
InChIInChI=1S/C18H20BrNO3/c1-4-23-16-10-14(9-15(19)17(16)22-3)18(21)20-11-13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyVIDXWUILXOWJJH-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-5-ethoxy-4-methoxybenzamide
CID 4786325
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 31449455
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
3-bromo-4-ethoxy-5-methoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 55727960
3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide
CID 25392821
3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17473350

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide (CID 7916792) is 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide is CCOc1cc(C(=O)NCc2ccc(C)cc2)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is VIDXWUILXOWJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-4-23-16-10-14(9-15(19)17(16)22-3)18(21)20-11-13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 378.27 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 7916792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).