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

C18H20BrNO4 — CID 7959624

IUPAC3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(OC)cc2)cc(Br)c1OC
InChIInChI=1S/C18H20BrNO4/c1-4-24-16-10-13(9-15(19)17(16)23-3)18(21)20-11-12-5-7-14(22-2)8-6-12/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyKLVCZCHEASUXQB-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.80
Rot. Bonds7

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

3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 7959624) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID7959624
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(OC)cc2)cc(Br)c1OC
InChIInChI=1S/C18H20BrNO4/c1-4-24-16-10-13(9-15(19)17(16)23-3)18(21)20-11-12-5-7-14(22-2)8-6-12/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyKLVCZCHEASUXQB-UHFFFAOYSA-N
XLogP3.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916792
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-5-ethoxy-4-methoxybenzamide
CID 4786325
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
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-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
CID 7930887
2-(4-methoxyphenyl)ethyl 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7899106
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 7959624) is 3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is CCOc1cc(C(=O)NCc2ccc(OC)cc2)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is KLVCZCHEASUXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-4-24-16-10-13(9-15(19)17(16)23-3)18(21)20-11-12-5-7-14(22-2)8-6-12/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 394.27 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 7959624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).