4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide

C14H20BrNO4 — CID 115700732

IUPAC4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide
SMILESCCCC(O)CNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C14H20BrNO4/c1-4-5-10(17)8-16-14(18)9-6-11(19-2)13(15)12(7-9)20-3/h6-7,10,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyBHBSRSCBHZEGCA-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.36
Rot. Bonds7

About 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide

4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide (PubChem CID 115700732) has the molecular formula C14H20BrNO4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide
PubChem CID115700732
Molecular FormulaC14H20BrNO4
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide
SMILESCCCC(O)CNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C14H20BrNO4/c1-4-5-10(17)8-16-14(18)9-6-11(19-2)13(15)12(7-9)20-3/h6-7,10,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyBHBSRSCBHZEGCA-UHFFFAOYSA-N
XLogP2.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
3,5-dibromo-N-(2-hydroxypentyl)benzamide
CID 103909287
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55655345
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119494813
4-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80537436
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
4-bromo-3,5-dimethoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 17412288
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide
CID 115636723

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide (CID 115700732) is 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide is CCCC(O)CNC(=O)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide?
The InChIKey is BHBSRSCBHZEGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4/c1-4-5-10(17)8-16-14(18)9-6-11(19-2)13(15)12(7-9)20-3/h6-7,10,17H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide?
4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide has a molecular weight of 346.22 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 115700732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).