4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide

C11H11BrFNO2 — CID 80713377

IUPAC4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO2/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-16-6-8/h1-2,5,8H,3-4,6H2,(H,14,15)
InChIKeyHOXAFLXNYLSICU-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.11
Rot. Bonds2

About 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide

4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide (PubChem CID 80713377) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
PubChem CID80713377
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO2/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-16-6-8/h1-2,5,8H,3-4,6H2,(H,14,15)
InChIKeyHOXAFLXNYLSICU-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
4-bromo-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347766
5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 172654541
4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64722332
2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
CID 113322132
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide
CID 172674750
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
4-bromo-2-(oxolan-3-ylamino)benzoic acid
CID 114907458

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide (CID 80713377) is 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide is O=C(NC1CCOC1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide?
The InChIKey is HOXAFLXNYLSICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-16-6-8/h1-2,5,8H,3-4,6H2,(H,14,15).
What are the key properties of 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide?
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide has a molecular weight of 288.12 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 80713377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).