N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide

C14H20BrNO3 — CID 114153212

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
SMILESCCC(C)(CCBr)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C14H20BrNO3/c1-4-14(2,8-9-15)16-13(18)10-6-5-7-11(19-3)12(10)17/h5-7,17H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyGTDJIRUXYIHCSR-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.08
Rot. Bonds6

About N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide

N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide (PubChem CID 114153212) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
PubChem CID114153212
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
SMILESCCC(C)(CCBr)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C14H20BrNO3/c1-4-14(2,8-9-15)16-13(18)10-6-5-7-11(19-3)12(10)17/h5-7,17H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyGTDJIRUXYIHCSR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide
CID 114010988
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61119582
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 113273131
N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 64550717
N-(1-bromo-3-methylpentan-3-yl)-2-nitrobenzamide
CID 106169348
N-(1-bromo-3-methylpentan-3-yl)-3-methyl-2-nitrobenzamide
CID 106169517
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 106168512
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-(1-bromo-2-methylbutan-2-yl)-2-fluoro-6-methoxybenzamide
CID 113275585
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide (CID 114153212) is N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide is CCC(C)(CCBr)NC(=O)c1cccc(OC)c1O.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is GTDJIRUXYIHCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-4-14(2,8-9-15)16-13(18)10-6-5-7-11(19-3)12(10)17/h5-7,17H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide?
N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 114153212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).