N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide

C16H24BrNO2 — CID 107206141

IUPACN-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)CCCCCBr)cc1
InChIInChI=1S/C16H24BrNO2/c1-13(2)20-15-9-7-14(8-10-15)16(19)18(3)12-6-4-5-11-17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyWVECWCZBSOZXPF-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.11
Rot. Bonds8

About N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide

N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide (PubChem CID 107206141) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
PubChem CID107206141
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)CCCCCBr)cc1
InChIInChI=1S/C16H24BrNO2/c1-13(2)20-15-9-7-14(8-10-15)16(19)18(3)12-6-4-5-11-17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyWVECWCZBSOZXPF-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
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-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
CID 107206523
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide
CID 113426450
N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 107202832
N-(2-bromoethyl)-N-cyclopentyl-4-propan-2-yloxybenzamide
CID 80652714
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145
N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 63390980
4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 115673441
4-[(3-bromo-5-propan-2-yloxybenzoyl)-methylamino]butanoic acid
CID 119173132
2-amino-N-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115152562

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide?
The IUPAC name of N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide (CID 107206141) is N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N(C)CCCCCBr)cc1.
What is the InChIKey of N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide?
The InChIKey is WVECWCZBSOZXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-13(2)20-15-9-7-14(8-10-15)16(19)18(3)12-6-4-5-11-17/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide?
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide has a molecular weight of 342.28 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 107206141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).