4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide

C15H22BrNO4 — CID 103772465

IUPAC4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)(C)CCO)cc(OC)c1Br
InChIInChI=1S/C15H22BrNO4/c1-15(2,5-6-18)9-17-14(19)10-7-11(20-3)13(16)12(8-10)21-4/h7-8,18H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyGELZHORVWXUZCU-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.60
Rot. Bonds7

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

4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide (PubChem CID 103772465) has the molecular formula C15H22BrNO4 and a molecular weight of 360.25 g/mol. Its IUPAC name is 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide
PubChem CID103772465
Molecular FormulaC15H22BrNO4
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)(C)CCO)cc(OC)c1Br
InChIInChI=1S/C15H22BrNO4/c1-15(2,5-6-18)9-17-14(19)10-7-11(20-3)13(16)12(8-10)21-4/h7-8,18H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyGELZHORVWXUZCU-UHFFFAOYSA-N
XLogP2.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide
CID 115636723
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
CID 75441473

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide (CID 103772465) is 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide is COc1cc(C(=O)NCC(C)(C)CCO)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide?
The InChIKey is GELZHORVWXUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4/c1-15(2,5-6-18)9-17-14(19)10-7-11(20-3)13(16)12(8-10)21-4/h7-8,18H,5-6,9H2,1-4H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide?
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide has a molecular weight of 360.25 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 103772465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).