N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide

C15H22BrNO3 — CID 106145403

IUPACN-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CCCBr)c(O)c1
InChIInChI=1S/C15H22BrNO3/c1-15(2,7-4-8-16)10-17-14(19)12-6-5-11(20-3)9-13(12)18/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyQGEGEKZFKBIVSZ-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.33
Rot. Bonds7

About N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide

N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide (PubChem CID 106145403) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide
PubChem CID106145403
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CCCBr)c(O)c1
InChIInChI=1S/C15H22BrNO3/c1-15(2,7-4-8-16)10-17-14(19)12-6-5-11(20-3)9-13(12)18/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyQGEGEKZFKBIVSZ-UHFFFAOYSA-N
XLogP3.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide
CID 103844616
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
CID 106139273
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-4-methoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51186865
N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide
CID 106143650
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
CID 113238429
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide (CID 106145403) is N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC(C)(C)CCCBr)c(O)c1.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is QGEGEKZFKBIVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-15(2,7-4-8-16)10-17-14(19)12-6-5-11(20-3)9-13(12)18/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide?
N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 344.25 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 106145403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).