3-bromo-N-butyl-5-methoxy-4-propoxybenzamide

C15H22BrNO3 — CID 18106222

IUPAC3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
SMILESCCCCNC(=O)c1cc(Br)c(OCCC)c(OC)c1
InChIInChI=1S/C15H22BrNO3/c1-4-6-7-17-15(18)11-9-12(16)14(20-8-5-2)13(10-11)19-3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyZVKVAEGFXSEKEH-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.78
Rot. Bonds8

About 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide

3-bromo-N-butyl-5-methoxy-4-propoxybenzamide (PubChem CID 18106222) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
PubChem CID18106222
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
SMILESCCCCNC(=O)c1cc(Br)c(OCCC)c(OC)c1
InChIInChI=1S/C15H22BrNO3/c1-4-6-7-17-15(18)11-9-12(16)14(20-8-5-2)13(10-11)19-3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyZVKVAEGFXSEKEH-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
CID 42989597
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide (CID 18106222) is 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide is CCCCNC(=O)c1cc(Br)c(OCCC)c(OC)c1.
What is the InChIKey of 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide?
The InChIKey is ZVKVAEGFXSEKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-4-6-7-17-15(18)11-9-12(16)14(20-8-5-2)13(10-11)19-3/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide?
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide has a molecular weight of 344.25 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butyl-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 18106222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).