2,5-dibromo-N-(2-phenoxyethyl)benzamide

C15H13Br2NO2 — CID 114372083

IUPAC2,5-dibromo-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H13Br2NO2/c16-11-6-7-14(17)13(10-11)15(19)18-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyMNKKWZZXMSADEP-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.02
Rot. Bonds5

About 2,5-dibromo-N-(2-phenoxyethyl)benzamide

2,5-dibromo-N-(2-phenoxyethyl)benzamide (PubChem CID 114372083) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-phenoxyethyl)benzamide
PubChem CID114372083
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2,5-dibromo-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H13Br2NO2/c16-11-6-7-14(17)13(10-11)15(19)18-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyMNKKWZZXMSADEP-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.02
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

2-bromo-5-iodo-N-(2-phenoxyethyl)benzamide
CID 103988921
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
CID 26676757
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 104920678
2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
CID 113100580
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
5-bromo-2-(4-phenoxybutylamino)benzoic acid
CID 18803004
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
2,5-dihydroxy-N-(3-phenoxypropyl)benzamide
CID 107722899
2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100328

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2-phenoxyethyl)benzamide (CID 114372083) is 2,5-dibromo-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2-phenoxyethyl)benzamide is O=C(NCCOc1ccccc1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-phenoxyethyl)benzamide?
The InChIKey is MNKKWZZXMSADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c16-11-6-7-14(17)13(10-11)15(19)18-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 2,5-dibromo-N-(2-phenoxyethyl)benzamide?
2,5-dibromo-N-(2-phenoxyethyl)benzamide has a molecular weight of 399.08 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 114372083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).