3-bromo-N-(3-phenylpropyl)benzamide

C16H16BrNO — CID 2169887

IUPAC3-bromo-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrNO/c17-15-10-4-9-14(12-15)16(19)18-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,18,19)
InChIKeyZILMJJQFVBRHRU-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.81
Rot. Bonds5

About 3-bromo-N-(3-phenylpropyl)benzamide

3-bromo-N-(3-phenylpropyl)benzamide (PubChem CID 2169887) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-bromo-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-phenylpropyl)benzamide
PubChem CID2169887
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name3-bromo-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrNO/c17-15-10-4-9-14(12-15)16(19)18-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,18,19)
InChIKeyZILMJJQFVBRHRU-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-bromo-N-(3-phenylpropyl)benzamide (CID 2169887) is 3-bromo-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-phenylpropyl)benzamide?
The InChIKey is ZILMJJQFVBRHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-15-10-4-9-14(12-15)16(19)18-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,18,19).
What are the key properties of 3-bromo-N-(3-phenylpropyl)benzamide?
3-bromo-N-(3-phenylpropyl)benzamide has a molecular weight of 318.21 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 2169887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).