N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H15FN2O4 — CID 17402424

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)C1=COCCO1
InChIInChI=1S/C14H15FN2O4/c1-17(14(19)12-9-20-5-6-21-12)8-13(18)16-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,16,18)
InChIKeyZOTHZILGBJRWDZ-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.11
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 17402424) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID17402424
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)C1=COCCO1
InChIInChI=1S/C14H15FN2O4/c1-17(14(19)12-9-20-5-6-21-12)8-13(18)16-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,16,18)
InChIKeyZOTHZILGBJRWDZ-UHFFFAOYSA-N
XLogP1.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(morpholin-4-yl)acetamide
CID 670650
[2-(3,4-Difluoroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2584018
[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 4851584
N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170542
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24686035
N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 25162388
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2997786
N-Phenyl-2-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-acetamide
CID 3095230
N,N-diethyl-2-[(6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]acetamide
CID 7178389
N-methyl-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 7178516
2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)-N-(propan-2-yl)acetamide
CID 7178544
2-[(6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]-N-phenylacetamide
CID 18575662

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 17402424) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)C1=COCCO1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is ZOTHZILGBJRWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-17(14(19)12-9-20-5-6-21-12)8-13(18)16-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 17402424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).