N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide

C13H16FNO3 — CID 110370059

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
SMILESO=C(NCCC1OCCCO1)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c14-11-5-2-1-4-10(11)13(16)15-7-6-12-17-8-3-9-18-12/h1-2,4-5,12H,3,6-9H2,(H,15,16)
InChIKeyKPNITGDBJLFALI-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.71
Rot. Bonds4

About N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide

N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide (PubChem CID 110370059) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
PubChem CID110370059
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
SMILESO=C(NCCC1OCCCO1)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c14-11-5-2-1-4-10(11)13(16)15-7-6-12-17-8-3-9-18-12/h1-2,4-5,12H,3,6-9H2,(H,15,16)
InChIKeyKPNITGDBJLFALI-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 14952151
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide
CID 110369952
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 24700732
4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 110369907
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110669263
2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 103856998

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide (CID 110370059) is N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide is O=C(NCCC1OCCCO1)c1ccccc1F.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide?
The InChIKey is KPNITGDBJLFALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-5-2-1-4-10(11)13(16)15-7-6-12-17-8-3-9-18-12/h1-2,4-5,12H,3,6-9H2,(H,15,16).
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide?
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide has a molecular weight of 253.27 g/mol, XLogP of 1.71, 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-dioxan-2-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 110370059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).