2-bromo-5-fluoro-N-phenylmethoxybenzamide

C14H11BrFNO2 — CID 9227655

IUPAC2-bromo-5-fluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cc(F)ccc1Br
InChIInChI=1S/C14H11BrFNO2/c15-13-7-6-11(16)8-12(13)14(18)17-19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyZSYKXSLZSQWPRX-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.45
Rot. Bonds4

About 2-bromo-5-fluoro-N-phenylmethoxybenzamide

2-bromo-5-fluoro-N-phenylmethoxybenzamide (PubChem CID 9227655) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-phenylmethoxybenzamide
PubChem CID9227655
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-bromo-5-fluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cc(F)ccc1Br
InChIInChI=1S/C14H11BrFNO2/c15-13-7-6-11(16)8-12(13)14(18)17-19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyZSYKXSLZSQWPRX-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-phenylmethoxybenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-phenylmethoxybenzamide (CID 9227655) is 2-bromo-5-fluoro-N-phenylmethoxybenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-phenylmethoxybenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-phenylmethoxybenzamide?
The InChIKey is ZSYKXSLZSQWPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-13-7-6-11(16)8-12(13)14(18)17-19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18).
What are the key properties of 2-bromo-5-fluoro-N-phenylmethoxybenzamide?
2-bromo-5-fluoro-N-phenylmethoxybenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-phenylmethoxybenzamide is sourced from PubChem (CID 9227655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).