3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide

C19H22BrNO4 — CID 4602601

IUPAC3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
SMILESCOCCCNC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H22BrNO4/c1-23-10-6-9-21-19(22)15-11-16(20)18(17(12-15)24-2)25-13-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,22)
InChIKeyYOMUAYICFBOEIT-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.80
Rot. Bonds9

About 3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide

3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide (PubChem CID 4602601) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
PubChem CID4602601
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
SMILESCOCCCNC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H22BrNO4/c1-23-10-6-9-21-19(22)15-11-16(20)18(17(12-15)24-2)25-13-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,22)
InChIKeyYOMUAYICFBOEIT-UHFFFAOYSA-N
XLogP3.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24681669
3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide
CID 55717157

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide (CID 4602601) is 3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide is COCCCNC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide?
The InChIKey is YOMUAYICFBOEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-23-10-6-9-21-19(22)15-11-16(20)18(17(12-15)24-2)25-13-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide?
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide has a molecular weight of 408.29 g/mol, XLogP of 3.80, 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-methoxypropyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 4602601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).