3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide

C18H20BrNO5 — CID 7930887

IUPAC3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(OC)cc2OC)cc(Br)c1OC
InChIInChI=1S/C18H20BrNO5/c1-5-25-16-9-11(8-13(19)17(16)24-4)18(21)20-14-7-6-12(22-2)10-15(14)23-3/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyLQTTUPLKBPKYAK-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.13
Rot. Bonds7

About 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide

3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide (PubChem CID 7930887) has the molecular formula C18H20BrNO5 and a molecular weight of 410.26 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
PubChem CID7930887
Molecular FormulaC18H20BrNO5
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(OC)cc2OC)cc(Br)c1OC
InChIInChI=1S/C18H20BrNO5/c1-5-25-16-9-11(8-13(19)17(16)24-4)18(21)20-14-7-6-12(22-2)10-15(14)23-3/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyLQTTUPLKBPKYAK-UHFFFAOYSA-N
XLogP4.13
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
CID 26363010
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916792

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide (CID 7930887) is 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2ccc(OC)cc2OC)cc(Br)c1OC.
What is the InChIKey of 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide?
The InChIKey is LQTTUPLKBPKYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO5/c1-5-25-16-9-11(8-13(19)17(16)24-4)18(21)20-14-7-6-12(22-2)10-15(14)23-3/h6-10H,5H2,1-4H3,(H,20,21).
What are the key properties of 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide?
3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide has a molecular weight of 410.26 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 7930887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).