4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide

C13H12F3NO3 — CID 135230932

IUPAC4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide
SMILESO=C(NC1CC1F)c1cc(F)c(C2OCCO2)c(F)c1
InChIInChI=1S/C13H12F3NO3/c14-7-5-10(7)17-12(18)6-3-8(15)11(9(16)4-6)13-19-1-2-20-13/h3-4,7,10,13H,1-2,5H2,(H,17,18)
InChIKeyHSDTUFWNAKJLET-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.85
Rot. Bonds3

About 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide

4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide (PubChem CID 135230932) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide
PubChem CID135230932
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide
SMILESO=C(NC1CC1F)c1cc(F)c(C2OCCO2)c(F)c1
InChIInChI=1S/C13H12F3NO3/c14-7-5-10(7)17-12(18)6-3-8(15)11(9(16)4-6)13-19-1-2-20-13/h3-4,7,10,13H,1-2,5H2,(H,17,18)
InChIKeyHSDTUFWNAKJLET-UHFFFAOYSA-N
XLogP1.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
N-(2-aminocyclopropyl)-3,4-difluorobenzamide
CID 43593845
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
CID 62396682
3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82729062
4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride
CID 143451455
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
CID 63184878
3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
CID 59356103
3,5-difluoro-N-(2-hydroxycyclohexyl)benzamide
CID 55063928

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide (CID 135230932) is 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide is O=C(NC1CC1F)c1cc(F)c(C2OCCO2)c(F)c1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide?
The InChIKey is HSDTUFWNAKJLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-7-5-10(7)17-12(18)6-3-8(15)11(9(16)4-6)13-19-1-2-20-13/h3-4,7,10,13H,1-2,5H2,(H,17,18).
What are the key properties of 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide?
4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide has a molecular weight of 287.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-3,5-difluoro-N-(2-fluorocyclopropyl)benzamide is sourced from PubChem (CID 135230932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).