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

C18H20BrNO3 — CID 7916758

IUPAC3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)NCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-4-23-17-15(19)9-14(10-16(17)22-3)18(21)20-11-13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyNYNWZPJAOGTLIZ-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.09
Rot. Bonds6

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

3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 7916758) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID7916758
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)NCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-4-23-17-15(19)9-14(10-16(17)22-3)18(21)20-11-13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyNYNWZPJAOGTLIZ-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-methylphenyl)methyl]benzamide
CID 7916792
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 31449455
3-bromo-4-ethoxy-5-methoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 55727960
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide (CID 7916758) is 3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide is CCOc1c(Br)cc(C(=O)NCc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is NYNWZPJAOGTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-4-23-17-15(19)9-14(10-16(17)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-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide?
3-bromo-4-ethoxy-5-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-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 7916758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).