N-(8-aminooctyl)-3-bromobenzamide

C15H23BrN2O — CID 54790956

IUPACN-(8-aminooctyl)-3-bromobenzamide
SMILESNCCCCCCCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c16-14-9-7-8-13(12-14)15(19)18-11-6-4-2-1-3-5-10-17/h7-9,12H,1-6,10-11,17H2,(H,18,19)
InChIKeyMSKFNKOPZVTFQB-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.48
Rot. Bonds9

About N-(8-aminooctyl)-3-bromobenzamide

N-(8-aminooctyl)-3-bromobenzamide (PubChem CID 54790956) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(8-aminooctyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(8-aminooctyl)-3-bromobenzamide
PubChem CID54790956
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-(8-aminooctyl)-3-bromobenzamide
SMILESNCCCCCCCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c16-14-9-7-8-13(12-14)15(19)18-11-6-4-2-1-3-5-10-17/h7-9,12H,1-6,10-11,17H2,(H,18,19)
InChIKeyMSKFNKOPZVTFQB-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-dodecylbenzamide
CID 603918
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
N-[3-(4-aminobutanoylamino)propyl]-3-bromobenzamide
CID 119312115
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
N-(6-aminohexyl)-3-(tert-butylamino)benzamide
CID 67566948
4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide
CID 60622543
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
3-bromo-N-[3-[(N'-methyl-N-pentylcarbamimidoyl)amino]propyl]benzamide
CID 111128775
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696

Frequently Asked Questions

What is the IUPAC name of N-(8-aminooctyl)-3-bromobenzamide?
The IUPAC name of N-(8-aminooctyl)-3-bromobenzamide (CID 54790956) is N-(8-aminooctyl)-3-bromobenzamide.
What is the SMILES notation for N-(8-aminooctyl)-3-bromobenzamide?
The canonical SMILES for N-(8-aminooctyl)-3-bromobenzamide is NCCCCCCCCNC(=O)c1cccc(Br)c1.
What is the InChIKey of N-(8-aminooctyl)-3-bromobenzamide?
The InChIKey is MSKFNKOPZVTFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c16-14-9-7-8-13(12-14)15(19)18-11-6-4-2-1-3-5-10-17/h7-9,12H,1-6,10-11,17H2,(H,18,19).
What are the key properties of N-(8-aminooctyl)-3-bromobenzamide?
N-(8-aminooctyl)-3-bromobenzamide has a molecular weight of 327.27 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminooctyl)-3-bromobenzamide is sourced from PubChem (CID 54790956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).