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

C15H22BrNO3 — CID 106350244

IUPAC4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)13(7-8-18)17-14(19)11-6-5-10(16)9-12(11)20-4/h5-6,9,13,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyHHGMFUSKEWYUDS-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.98
Rot. Bonds5

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

4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide (PubChem CID 106350244) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
PubChem CID106350244
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)13(7-8-18)17-14(19)11-6-5-10(16)9-12(11)20-4/h5-6,9,13,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyHHGMFUSKEWYUDS-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356212
2-[(4-bromo-2-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 113295962
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
4-amino-2-[(4-bromo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 115368589
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356172
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
3-[(5-bromo-2-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949899
4-bromo-2-methoxy-N-pent-4-en-2-ylbenzamide
CID 115631363

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide (CID 106350244) is 4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of 4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
The InChIKey is HHGMFUSKEWYUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-15(2,3)13(7-8-18)17-14(19)11-6-5-10(16)9-12(11)20-4/h5-6,9,13,18H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide has a molecular weight of 344.25 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 106350244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).