5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide

C12H16BrNO3 — CID 113278453

IUPAC5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCC(C)CO
InChIInChI=1S/C12H16BrNO3/c1-8(7-15)6-14-12(16)10-5-9(13)3-4-11(10)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyZBFCEKGSTVXKGZ-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.82
Rot. Bonds5

About 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide

5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide (PubChem CID 113278453) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide
PubChem CID113278453
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCC(C)CO
InChIInChI=1S/C12H16BrNO3/c1-8(7-15)6-14-12(16)10-5-9(13)3-4-11(10)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyZBFCEKGSTVXKGZ-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113344752
4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
1-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923287
N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 65037014
methyl 4-[(5-bromo-2-methoxybenzoyl)amino]butanoate
CID 113241279
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65036986
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide (CID 113278453) is 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)NCC(C)CO.
What is the InChIKey of 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide?
The InChIKey is ZBFCEKGSTVXKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-8(7-15)6-14-12(16)10-5-9(13)3-4-11(10)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide?
5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide has a molecular weight of 302.17 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide is sourced from PubChem (CID 113278453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).