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

C12H13BrFNO2 — CID 43610272

IUPAC5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(Br)ccc1F
InChIInChI=1S/C12H13BrFNO2/c13-8-1-2-11(14)10(7-8)12(16)15-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H,15,16)
InChIKeySCCNUABWYHLSHH-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.50
Rot. Bonds2

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

5-bromo-2-fluoro-N-(oxan-4-yl)benzamide (PubChem CID 43610272) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
PubChem CID43610272
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(Br)ccc1F
InChIInChI=1S/C12H13BrFNO2/c13-8-1-2-11(14)10(7-8)12(16)15-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H,15,16)
InChIKeySCCNUABWYHLSHH-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
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5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
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5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
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2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
CID 171361952
5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 55210131
5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767098
5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 113407761
2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60820882
4-[(5-bromo-2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223102
4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 46537368
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(oxan-4-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(oxan-4-yl)benzamide (CID 43610272) is 5-bromo-2-fluoro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(oxan-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(oxan-4-yl)benzamide?
The InChIKey is SCCNUABWYHLSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c13-8-1-2-11(14)10(7-8)12(16)15-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H,15,16).
What are the key properties of 5-bromo-2-fluoro-N-(oxan-4-yl)benzamide?
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide has a molecular weight of 302.14 g/mol, XLogP of 2.50, 2 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-(oxan-4-yl)benzamide is sourced from PubChem (CID 43610272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).