N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide

C13H18BrNO2 — CID 114317617

IUPACN-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H18BrNO2/c1-2-10(7-8-14)9-15-13(17)11-3-5-12(16)6-4-11/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyCNHVWPXLWNDGKJ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.93
Rot. Bonds6

About N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide

N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide (PubChem CID 114317617) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
PubChem CID114317617
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H18BrNO2/c1-2-10(7-8-14)9-15-13(17)11-3-5-12(16)6-4-11/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyCNHVWPXLWNDGKJ-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-(4-bromo-2-ethylbutyl)-4-methylsulfanylbenzamide
CID 114317601
N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide
CID 114317757
N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 114317633
3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
N-(4-bromo-2-ethylbutyl)-3-chloro-4-fluorobenzamide
CID 82878753
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118
N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 114039929
5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide
CID 107966179

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide (CID 114317617) is N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide is CCC(CCBr)CNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide?
The InChIKey is CNHVWPXLWNDGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-10(7-8-14)9-15-13(17)11-3-5-12(16)6-4-11/h3-6,10,16H,2,7-9H2,1H3,(H,15,17).
What are the key properties of N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide?
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide has a molecular weight of 300.20 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide is sourced from PubChem (CID 114317617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).