2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide

C14H15BrFNO2 — CID 103864687

IUPAC2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1cc(F)ccc1Br
InChIInChI=1S/C14H15BrFNO2/c15-11-4-3-9(16)7-10(11)14(18)17-12-5-6-19-13(12)8-1-2-8/h3-4,7-8,12-13H,1-2,5-6H2,(H,17,18)
InChIKeyALDGPXVPICPVQJ-UHFFFAOYSA-N
MW328.18 g/mol
LogP2.89
Rot. Bonds3

About 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide

2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide (PubChem CID 103864687) has the molecular formula C14H15BrFNO2 and a molecular weight of 328.18 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
PubChem CID103864687
Molecular FormulaC14H15BrFNO2
Molecular Weight328.18 g/mol
Exact Mass327.03
IUPAC Name2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1cc(F)ccc1Br
InChIInChI=1S/C14H15BrFNO2/c15-11-4-3-9(16)7-10(11)14(18)17-12-5-6-19-13(12)8-1-2-8/h3-4,7-8,12-13H,1-2,5-6H2,(H,17,18)
InChIKeyALDGPXVPICPVQJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide
CID 43593743
3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide
CID 103908532
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide
CID 66195936
2-bromo-5-fluoro-N-[3-[[(2S,3R)-2-methyloxolan-3-yl]amino]-3-oxopropyl]benzamide
CID 97249833
N-(2-cyclopropyloxolan-3-yl)-2-hydrazinylbenzamide
CID 114120833
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
N-(2-cyclopropyloxolan-3-yl)-2-hydrazinyl-5-methylbenzamide
CID 114120831
2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80602019
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide (CID 103864687) is 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide is O=C(NC1CCOC1C1CC1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide?
The InChIKey is ALDGPXVPICPVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO2/c15-11-4-3-9(16)7-10(11)14(18)17-12-5-6-19-13(12)8-1-2-8/h3-4,7-8,12-13H,1-2,5-6H2,(H,17,18).
What are the key properties of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide?
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide has a molecular weight of 328.18 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide is sourced from PubChem (CID 103864687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).