3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide

C14H20BrNO3 — CID 103713122

IUPAC3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-4-7-14(2,18)9-16-13(17)10-5-6-12(19-3)11(15)8-10/h5-6,8,18H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyFVEVGFBEYXIBIX-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.74
Rot. Bonds6

About 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide

3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide (PubChem CID 103713122) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
PubChem CID103713122
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-4-7-14(2,18)9-16-13(17)10-5-6-12(19-3)11(15)8-10/h5-6,8,18H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyFVEVGFBEYXIBIX-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide 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-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
CID 103712520
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide
CID 60682140
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
3-bromo-N-(3,3-dimethyl-2-oxobutyl)-4-methoxybenzamide
CID 64991980
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide
CID 78965757
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide (CID 103713122) is 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide is CCCC(C)(O)CNC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide?
The InChIKey is FVEVGFBEYXIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-4-7-14(2,18)9-16-13(17)10-5-6-12(19-3)11(15)8-10/h5-6,8,18H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide?
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide is sourced from PubChem (CID 103713122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).