4-bromo-N-pentylbenzamide

C12H16BrNO — CID 4167913

IUPAC4-bromo-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-2-3-4-9-14-12(15)10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKeyJMPZWVSSEZHINX-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.37
Rot. Bonds5

About 4-bromo-N-pentylbenzamide

4-bromo-N-pentylbenzamide (PubChem CID 4167913) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-N-pentylbenzamide.

Molecular Properties

Compound Name4-bromo-N-pentylbenzamide
PubChem CID4167913
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-bromo-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-2-3-4-9-14-12(15)10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKeyJMPZWVSSEZHINX-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.37
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

4-bromo-N-hexadecylbenzamide
CID 54791037
4-bromo-N-[2-(butylcarbamoylamino)ethyl]benzamide
CID 47322695
4-bromo-N-[2-[(N'-methyl-N-pentylcarbamimidoyl)amino]ethyl]benzamide
CID 111130074
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
N-decyl-4-sulfanylbenzamide
CID 107032455
4-tert-butyl-N-nonylbenzamide
CID 4642451
4-bromo-N-[2-(propylamino)ethyl]benzamide
CID 62658628
N-pentyl-4-propylbenzamide
CID 70894308
3-bromo-N-dodecylbenzamide
CID 603918
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pentylbenzamide?
The IUPAC name of 4-bromo-N-pentylbenzamide (CID 4167913) is 4-bromo-N-pentylbenzamide.
What is the SMILES notation for 4-bromo-N-pentylbenzamide?
The canonical SMILES for 4-bromo-N-pentylbenzamide is CCCCCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-pentylbenzamide?
The InChIKey is JMPZWVSSEZHINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-2-3-4-9-14-12(15)10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3,(H,14,15).
What are the key properties of 4-bromo-N-pentylbenzamide?
4-bromo-N-pentylbenzamide has a molecular weight of 270.17 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pentylbenzamide is sourced from PubChem (CID 4167913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).