4-bromo-N-hexyl-3,5-dimethoxybenzamide

C15H22BrNO3 — CID 32646709

IUPAC4-bromo-N-hexyl-3,5-dimethoxybenzamide
SMILESCCCCCCNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C15H22BrNO3/c1-4-5-6-7-8-17-15(18)11-9-12(19-2)14(16)13(10-11)20-3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyJJQODQDASKQHGN-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.78
Rot. Bonds8

About 4-bromo-N-hexyl-3,5-dimethoxybenzamide

4-bromo-N-hexyl-3,5-dimethoxybenzamide (PubChem CID 32646709) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-N-hexyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-hexyl-3,5-dimethoxybenzamide
PubChem CID32646709
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name4-bromo-N-hexyl-3,5-dimethoxybenzamide
SMILESCCCCCCNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C15H22BrNO3/c1-4-5-6-7-8-17-15(18)11-9-12(19-2)14(16)13(10-11)20-3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyJJQODQDASKQHGN-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'}

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Related Compounds

N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-hexyl-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-hexyl-3,5-dimethoxybenzamide (CID 32646709) is 4-bromo-N-hexyl-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-hexyl-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-hexyl-3,5-dimethoxybenzamide is CCCCCCNC(=O)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 4-bromo-N-hexyl-3,5-dimethoxybenzamide?
The InChIKey is JJQODQDASKQHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-4-5-6-7-8-17-15(18)11-9-12(19-2)14(16)13(10-11)20-3/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-bromo-N-hexyl-3,5-dimethoxybenzamide?
4-bromo-N-hexyl-3,5-dimethoxybenzamide 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 4-bromo-N-hexyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 32646709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).