N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide

C16H24BrNO2 — CID 114317757

IUPACN-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H24BrNO2/c1-4-13(9-10-17)11-18-16(19)14-5-7-15(8-6-14)20-12(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyMZOOOCJORFFVJR-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.01
Rot. Bonds8

About N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide

N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide (PubChem CID 114317757) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide
PubChem CID114317757
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide
SMILESCCC(CCBr)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H24BrNO2/c1-4-13(9-10-17)11-18-16(19)14-5-7-15(8-6-14)20-12(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyMZOOOCJORFFVJR-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
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-hydroxybenzamide
CID 114317617
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-(4-bromo-2-ethylbutyl)-4-methylsulfanylbenzamide
CID 114317601
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 114317633
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-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
CID 113276353
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide (CID 114317757) is N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide is CCC(CCBr)CNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide?
The InChIKey is MZOOOCJORFFVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-13(9-10-17)11-18-16(19)14-5-7-15(8-6-14)20-12(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide?
N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide has a molecular weight of 342.28 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 114317757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).