3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide

C20H24BrNO4 — CID 55717157

IUPAC3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCc2cccc(COC)c2)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-4-8-26-19-17(21)10-16(11-18(19)25-3)20(23)22-12-14-6-5-7-15(9-14)13-24-2/h5-7,9-11H,4,8,12-13H2,1-3H3,(H,22,23)
InChIKeyALOOSVBGALFTSR-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.32
Rot. Bonds9

About 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide

3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide (PubChem CID 55717157) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide
PubChem CID55717157
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCc2cccc(COC)c2)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-4-8-26-19-17(21)10-16(11-18(19)25-3)20(23)22-12-14-6-5-7-15(9-14)13-24-2/h5-7,9-11H,4,8,12-13H2,1-3H3,(H,22,23)
InChIKeyALOOSVBGALFTSR-UHFFFAOYSA-N
XLogP4.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide
CID 60526229
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
3-bromo-N-[2-(dimethylamino)-3-phenylpropyl]-5-methoxy-4-propoxybenzamide
CID 55337317
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide (CID 55717157) is 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)NCc2cccc(COC)c2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide?
The InChIKey is ALOOSVBGALFTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-4-8-26-19-17(21)10-16(11-18(19)25-3)20(23)22-12-14-6-5-7-15(9-14)13-24-2/h5-7,9-11H,4,8,12-13H2,1-3H3,(H,22,23).
What are the key properties of 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide?
3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide has a molecular weight of 422.32 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide is sourced from PubChem (CID 55717157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).