N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide

C16H24BrNO2 — CID 114314567

IUPACN-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC(C)(CC)CBr)cc1
InChIInChI=1S/C16H24BrNO2/c1-4-6-11-20-14-9-7-13(8-10-14)15(19)18-16(3,5-2)12-17/h7-10H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyXDCQYKFYUBJXHM-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.16
Rot. Bonds8

About N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide

N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide (PubChem CID 114314567) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
PubChem CID114314567
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC(C)(CC)CBr)cc1
InChIInChI=1S/C16H24BrNO2/c1-4-6-11-20-14-9-7-13(8-10-14)15(19)18-16(3,5-2)12-17/h7-10H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyXDCQYKFYUBJXHM-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
CID 64550930
4-butoxy-N-tert-butylbenzamide
CID 60643031
N-(1-bromo-2-methylbutan-2-yl)-4-(difluoromethoxy)benzamide
CID 114314541
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
CID 31922159
N-(1-bromo-2-methylbutan-2-yl)-3,4-diethoxybenzamide
CID 114314436
N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
CID 119524229
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503
N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 113275625
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
4-pentoxybenzohydrazide
CID 2727702
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide (CID 114314567) is N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide is CCCCOc1ccc(C(=O)NC(C)(CC)CBr)cc1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide?
The InChIKey is XDCQYKFYUBJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-6-11-20-14-9-7-13(8-10-14)15(19)18-16(3,5-2)12-17/h7-10H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide?
N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide has a molecular weight of 342.28 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide is sourced from PubChem (CID 114314567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).