2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

C13H15BrFNO3 — CID 79039867

IUPAC2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOCC1)c1ccc(F)cc1Br
InChIInChI=1S/C13H15BrFNO3/c14-11-7-9(15)1-2-10(11)12(17)16-8-13(18)3-5-19-6-4-13/h1-2,7,18H,3-6,8H2,(H,16,17)
InChIKeyUUJNXDLTPIHSGL-UHFFFAOYSA-N
MW332.17 g/mol
LogP1.86
Rot. Bonds3

About 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (PubChem CID 79039867) has the molecular formula C13H15BrFNO3 and a molecular weight of 332.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
PubChem CID79039867
Molecular FormulaC13H15BrFNO3
Molecular Weight332.17 g/mol
Exact Mass331.02
IUPAC Name2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOCC1)c1ccc(F)cc1Br
InChIInChI=1S/C13H15BrFNO3/c14-11-7-9(15)1-2-10(11)12(17)16-8-13(18)3-5-19-6-4-13/h1-2,7,18H,3-6,8H2,(H,16,17)
InChIKeyUUJNXDLTPIHSGL-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (CID 79039867) is 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is O=C(NCC1(O)CCOCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The InChIKey is UUJNXDLTPIHSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO3/c14-11-7-9(15)1-2-10(11)12(17)16-8-13(18)3-5-19-6-4-13/h1-2,7,18H,3-6,8H2,(H,16,17).
What are the key properties of 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide has a molecular weight of 332.17 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is sourced from PubChem (CID 79039867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).