5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

C13H15BrFNO3 — CID 103954078

IUPAC5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CO)CCOCC1)c1cc(Br)ccc1F
InChIInChI=1S/C13H15BrFNO3/c14-9-1-2-11(15)10(7-9)12(18)16-13(8-17)3-5-19-6-4-13/h1-2,7,17H,3-6,8H2,(H,16,18)
InChIKeyHSZAQDYPTKAWRA-UHFFFAOYSA-N
MW332.17 g/mol
LogP1.86
Rot. Bonds3

About 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (PubChem CID 103954078) has the molecular formula C13H15BrFNO3 and a molecular weight of 332.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
PubChem CID103954078
Molecular FormulaC13H15BrFNO3
Molecular Weight332.17 g/mol
Exact Mass331.02
IUPAC Name5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CO)CCOCC1)c1cc(Br)ccc1F
InChIInChI=1S/C13H15BrFNO3/c14-9-1-2-11(15)10(7-9)12(18)16-13(8-17)3-5-19-6-4-13/h1-2,7,17H,3-6,8H2,(H,16,18)
InChIKeyHSZAQDYPTKAWRA-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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Related Compounds

5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
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CID 106298468
5-amino-2-bromo-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296663
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
(E)-3-(5-bromo-2-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]prop-2-enamide
CID 103954326
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
3-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106548206
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
5-bromo-N-[4-(chloromethyl)oxan-4-yl]-2-iodobenzamide
CID 106300421
N-[4-(chloromethyl)oxan-4-yl]-2-fluoro-5-methylbenzamide
CID 114170560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (CID 103954078) is 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is O=C(NC1(CO)CCOCC1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The InChIKey is HSZAQDYPTKAWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO3/c14-9-1-2-11(15)10(7-9)12(18)16-13(8-17)3-5-19-6-4-13/h1-2,7,17H,3-6,8H2,(H,16,18).
What are the key properties of 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]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 5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is sourced from PubChem (CID 103954078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).