5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide

C15H13BrFNO2 — CID 17431359

IUPAC5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/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)
InChIKeyZHSFGFFMHNRNOD-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.40
Rot. Bonds5

About 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide

5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide (PubChem CID 17431359) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
PubChem CID17431359
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/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)
InChIKeyZHSFGFFMHNRNOD-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.40
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

N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide
CID 61030857
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
2-fluoro-N-(2-phenoxyethyl)-5-sulfanylbenzamide
CID 107026803
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
3-phenoxypropyl 5-bromo-2-fluorobenzoate
CID 55568169
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
5-fluoro-2-hydroxy-N-(2-phenoxyethyl)benzamide
CID 79532175
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
2-bromo-5-iodo-N-(2-phenoxyethyl)benzamide
CID 103988921
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide (CID 17431359) is 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide is O=C(NCCOc1ccccc1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide?
The InChIKey is ZHSFGFFMHNRNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/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 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide?
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide has a molecular weight of 338.18 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 17431359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).