N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide

C15H22BrNO3 — CID 106356090

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(CCBr)C(C)(C)C)c1
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)13(7-8-16)17-14(19)11-9-10(20-4)5-6-12(11)18/h5-6,9,13,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyQLXLAAYUXWBQKI-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.33
Rot. Bonds5

About N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide

N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 106356090) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID106356090
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(CCBr)C(C)(C)C)c1
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)13(7-8-16)17-14(19)11-9-10(20-4)5-6-12(11)18/h5-6,9,13,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyQLXLAAYUXWBQKI-UHFFFAOYSA-N
XLogP3.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
CID 106356170
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356172
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356212
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide
CID 114177999
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-hydroxy-2-methylbenzamide
CID 114178025
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide (CID 106356090) is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC(CCBr)C(C)(C)C)c1.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is QLXLAAYUXWBQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-15(2,3)13(7-8-16)17-14(19)11-9-10(20-4)5-6-12(11)18/h5-6,9,13,18H,7-8H2,1-4H3,(H,17,19).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 344.25 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 106356090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).