3,5-dibromo-N-(3-phenoxypropyl)benzamide

C16H15Br2NO2 — CID 107980421

IUPAC3,5-dibromo-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H15Br2NO2/c17-13-9-12(10-14(18)11-13)16(20)19-7-4-8-21-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,19,20)
InChIKeyPXDXMYSQLWXXOL-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.41
Rot. Bonds6

About 3,5-dibromo-N-(3-phenoxypropyl)benzamide

3,5-dibromo-N-(3-phenoxypropyl)benzamide (PubChem CID 107980421) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3-phenoxypropyl)benzamide
PubChem CID107980421
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name3,5-dibromo-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H15Br2NO2/c17-13-9-12(10-14(18)11-13)16(20)19-7-4-8-21-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,19,20)
InChIKeyPXDXMYSQLWXXOL-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.41
H-Bond Donors ≤ 51
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-5-chloro-N-(3-phenoxypropyl)benzamide
CID 107952345
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62378773
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861
3,5-dibromo-N-(4-methoxybutyl)benzamide
CID 103907947
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
CID 63185424
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(3-phenoxypropyl)benzamide (CID 107980421) is 3,5-dibromo-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(3-phenoxypropyl)benzamide is O=C(NCCCOc1ccccc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(3-phenoxypropyl)benzamide?
The InChIKey is PXDXMYSQLWXXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c17-13-9-12(10-14(18)11-13)16(20)19-7-4-8-21-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,19,20).
What are the key properties of 3,5-dibromo-N-(3-phenoxypropyl)benzamide?
3,5-dibromo-N-(3-phenoxypropyl)benzamide has a molecular weight of 413.11 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 107980421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).