2-bromo-N-hexyl-5-methylbenzamide

C14H20BrNO — CID 80980200

IUPAC2-bromo-N-hexyl-5-methylbenzamide
SMILESCCCCCCNC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-3-4-5-6-9-16-14(17)12-10-11(2)7-8-13(12)15/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyOLHZBMDOSHMBCR-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.07
Rot. Bonds6

About 2-bromo-N-hexyl-5-methylbenzamide

2-bromo-N-hexyl-5-methylbenzamide (PubChem CID 80980200) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-N-hexyl-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-hexyl-5-methylbenzamide
PubChem CID80980200
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-N-hexyl-5-methylbenzamide
SMILESCCCCCCNC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-3-4-5-6-9-16-14(17)12-10-11(2)7-8-13(12)15/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyOLHZBMDOSHMBCR-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
2-bromo-5-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 81002289
2-bromo-N-(3-bromobutyl)-5-methylbenzamide
CID 114312710

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hexyl-5-methylbenzamide?
The IUPAC name of 2-bromo-N-hexyl-5-methylbenzamide (CID 80980200) is 2-bromo-N-hexyl-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-hexyl-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-hexyl-5-methylbenzamide is CCCCCCNC(=O)c1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N-hexyl-5-methylbenzamide?
The InChIKey is OLHZBMDOSHMBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-4-5-6-9-16-14(17)12-10-11(2)7-8-13(12)15/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-hexyl-5-methylbenzamide?
2-bromo-N-hexyl-5-methylbenzamide has a molecular weight of 298.22 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hexyl-5-methylbenzamide is sourced from PubChem (CID 80980200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).