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

C18H19BrClNO5 — CID 42057269

IUPAC3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OC
InChIInChI=1S/C18H19BrClNO5/c1-5-26-17-11(19)6-10(7-16(17)25-4)18(22)21-13-8-12(20)14(23-2)9-15(13)24-3/h6-9H,5H2,1-4H3,(H,21,22)
InChIKeyOUUNNNDRQRHOOR-UHFFFAOYSA-N
MW444.71 g/mol
LogP4.78
Rot. Bonds7

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

3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide (PubChem CID 42057269) has the molecular formula C18H19BrClNO5 and a molecular weight of 444.71 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
PubChem CID42057269
Molecular FormulaC18H19BrClNO5
Molecular Weight444.71 g/mol
Exact Mass443.01
IUPAC Name3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OC
InChIInChI=1S/C18H19BrClNO5/c1-5-26-17-11(19)6-10(7-16(17)25-4)18(22)21-13-8-12(20)14(23-2)9-15(13)24-3/h6-9H,5H2,1-4H3,(H,21,22)
InChIKeyOUUNNNDRQRHOOR-UHFFFAOYSA-N
XLogP4.78
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.71
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide
CID 55660483
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
CID 7930887
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4814407
3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 35027407
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide (CID 42057269) is 3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OC.
What is the InChIKey of 3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide?
The InChIKey is OUUNNNDRQRHOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO5/c1-5-26-17-11(19)6-10(7-16(17)25-4)18(22)21-13-8-12(20)14(23-2)9-15(13)24-3/h6-9H,5H2,1-4H3,(H,21,22).
What are the key properties of 3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide?
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide has a molecular weight of 444.71 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 42057269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).