N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide

C12H13F2NO3 — CID 110369952

IUPACN-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide
SMILESO=C(NCCC1OCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO3/c13-9-2-1-8(7-10(9)14)12(16)15-4-3-11-17-5-6-18-11/h1-2,7,11H,3-6H2,(H,15,16)
InChIKeyAJKBLNCMEWVPIB-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.46
Rot. Bonds4

About N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide

N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide (PubChem CID 110369952) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide
PubChem CID110369952
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC NameN-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide
SMILESO=C(NCCC1OCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO3/c13-9-2-1-8(7-10(9)14)12(16)15-4-3-11-17-5-6-18-11/h1-2,7,11H,3-6H2,(H,15,16)
InChIKeyAJKBLNCMEWVPIB-UHFFFAOYSA-N
XLogP1.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 110369907
N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 14952151
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
3,4-difluoro-N-heptylbenzamide
CID 91717416
3,4-difluoro-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866429
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
N-(4-cyanobutyl)-3,4-difluorobenzamide
CID 63284826

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide (CID 110369952) is N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide is O=C(NCCC1OCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide?
The InChIKey is AJKBLNCMEWVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-9-2-1-8(7-10(9)14)12(16)15-4-3-11-17-5-6-18-11/h1-2,7,11H,3-6H2,(H,15,16).
What are the key properties of N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide?
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide has a molecular weight of 257.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 110369952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).