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

C12H13BrFNO2 — CID 43610271

IUPAC2-bromo-5-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(F)ccc1Br
InChIInChI=1S/C12H13BrFNO2/c13-11-2-1-8(14)7-10(11)12(16)15-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H,15,16)
InChIKeyAGTLWUXHNWKCKX-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.50
Rot. Bonds2

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

2-bromo-5-fluoro-N-(oxan-4-yl)benzamide (PubChem CID 43610271) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(oxan-4-yl)benzamide
PubChem CID43610271
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name2-bromo-5-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(F)ccc1Br
InChIInChI=1S/C12H13BrFNO2/c13-11-2-1-8(14)7-10(11)12(16)15-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H,15,16)
InChIKeyAGTLWUXHNWKCKX-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-Bromophenyl)(morpholino)methanone
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2-bromo-N-(1-phenylpropyl)benzamide
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N-(2-aminoethyl)-2-bromobenzamide
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2-bromo-N-propylbenzamide
CID 4653287
N-Allyl-2-bromobenzamide
CID 1591515
5-bromo-N-ethyl-2-fluorobenzamide
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2-bromo-N-ethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(oxan-4-yl)benzamide (CID 43610271) is 2-bromo-5-fluoro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(oxan-4-yl)benzamide?
The InChIKey is AGTLWUXHNWKCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c13-11-2-1-8(14)7-10(11)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 2-bromo-5-fluoro-N-(oxan-4-yl)benzamide?
2-bromo-5-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 2-bromo-5-fluoro-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 43610271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).