N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide

C15H22BrNO3 — CID 107206269

IUPACN-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CCCCCBr)c1OC
InChIInChI=1S/C15H22BrNO3/c1-17(11-6-4-5-10-16)15(18)12-8-7-9-13(19-2)14(12)20-3/h7-9H,4-6,10-11H2,1-3H3
InChIKeyONCPYIMXMYAHNT-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.34
Rot. Bonds8

About N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide

N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide (PubChem CID 107206269) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide
PubChem CID107206269
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC NameN-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CCCCCBr)c1OC
InChIInChI=1S/C15H22BrNO3/c1-17(11-6-4-5-10-16)15(18)12-8-7-9-13(19-2)14(12)20-3/h7-9H,4-6,10-11H2,1-3H3
InChIKeyONCPYIMXMYAHNT-UHFFFAOYSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 107206107
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
CID 113469120
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
CID 113239185

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide (CID 107206269) is N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)CCCCCBr)c1OC.
What is the InChIKey of N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide?
The InChIKey is ONCPYIMXMYAHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-17(11-6-4-5-10-16)15(18)12-8-7-9-13(19-2)14(12)20-3/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide?
N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide has a molecular weight of 344.25 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 107206269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).