5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide

C14H20BrNO3 — CID 113344752

IUPAC5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H20BrNO3/c1-9(2)6-11(8-17)16-14(18)12-7-10(15)4-5-13(12)19-3/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyYYTMDBSZDPSZAJ-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.59
Rot. Bonds6

About 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide

5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide (PubChem CID 113344752) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide
PubChem CID113344752
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H20BrNO3/c1-9(2)6-11(8-17)16-14(18)12-7-10(15)4-5-13(12)19-3/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyYYTMDBSZDPSZAJ-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxy-5-methylbenzamide
CID 61245771
5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide
CID 113278453
N-(1-chloro-4-methylpentan-2-yl)-2,5-dimethoxybenzamide
CID 114300830
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 61246474
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide
CID 107872505
5-bromo-N-(1-hydroxy-4-methoxybutan-2-yl)-2-methylbenzamide
CID 114210719
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide
CID 115412958
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
1-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923287
5-bromo-2-methoxy-N-(propan-2-ylcarbamothioyl)benzamide
CID 17094512

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide (CID 113344752) is 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)NC(CO)CC(C)C.
What is the InChIKey of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide?
The InChIKey is YYTMDBSZDPSZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-9(2)6-11(8-17)16-14(18)12-7-10(15)4-5-13(12)19-3/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18).
What are the key properties of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide?
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 113344752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).