N-(6-bromohexyl)-3-methoxybenzamide

C14H20BrNO2 — CID 114008510

IUPACN-(6-bromohexyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCCCBr)c1
InChIInChI=1S/C14H20BrNO2/c1-18-13-8-6-7-12(11-13)14(17)16-10-5-3-2-4-9-15/h6-8,11H,2-5,9-10H2,1H3,(H,16,17)
InChIKeyOOYQAUGVTQBESA-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.38
Rot. Bonds8

About N-(6-bromohexyl)-3-methoxybenzamide

N-(6-bromohexyl)-3-methoxybenzamide (PubChem CID 114008510) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(6-bromohexyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-3-methoxybenzamide
PubChem CID114008510
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(6-bromohexyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCCCBr)c1
InChIInChI=1S/C14H20BrNO2/c1-18-13-8-6-7-12(11-13)14(17)16-10-5-3-2-4-9-15/h6-8,11H,2-5,9-10H2,1H3,(H,16,17)
InChIKeyOOYQAUGVTQBESA-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.38
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

3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-tridecylbenzamide
CID 139819898
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-methoxy-N-[6-(4-nitroanilino)hexyl]benzamide
CID 42704469
methyl 7-[(3-phenoxybenzoyl)amino]heptanoate
CID 36622065
methyl 6-[(3-phenoxybenzoyl)amino]hexanoate
CID 31839416
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-3-methoxybenzamide?
The IUPAC name of N-(6-bromohexyl)-3-methoxybenzamide (CID 114008510) is N-(6-bromohexyl)-3-methoxybenzamide.
What is the SMILES notation for N-(6-bromohexyl)-3-methoxybenzamide?
The canonical SMILES for N-(6-bromohexyl)-3-methoxybenzamide is COc1cccc(C(=O)NCCCCCCBr)c1.
What is the InChIKey of N-(6-bromohexyl)-3-methoxybenzamide?
The InChIKey is OOYQAUGVTQBESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-18-13-8-6-7-12(11-13)14(17)16-10-5-3-2-4-9-15/h6-8,11H,2-5,9-10H2,1H3,(H,16,17).
What are the key properties of N-(6-bromohexyl)-3-methoxybenzamide?
N-(6-bromohexyl)-3-methoxybenzamide has a molecular weight of 314.22 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-3-methoxybenzamide is sourced from PubChem (CID 114008510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).