5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

C15H19FN2O3 — CID 170737850

IUPAC5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H19FN2O3/c1-10-6-7-11(16)9-12(10)15(21)18(3)13(5-4-8-19)14(20)17-2/h6-9,13H,4-5H2,1-3H3,(H,17,20)
InChIKeyCEJHEONLHDDNMT-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.30
Rot. Bonds6

About 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (PubChem CID 170737850) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
PubChem CID170737850
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H19FN2O3/c1-10-6-7-11(16)9-12(10)15(21)18(3)13(5-4-8-19)14(20)17-2/h6-9,13H,4-5H2,1-3H3,(H,17,20)
InChIKeyCEJHEONLHDDNMT-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide with MolForge

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Related Compounds

1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
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2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 70876201
N-(2,6-dioxopiperidin-3-yl)benzamide
CID 341427
(2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)pentanamide
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N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 2097244
2-fluoro-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
CID 2111809
2-isopropyl-3-oxo-N-(2-phenylethyl)isoindoline-1-carboxamide
CID 4116921
N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide
CID 4788423
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 7610454
N-[1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 16286933
N,N'-dibutylphthalamide
CID 2294629
N,N'-dipropylphthalamide
CID 2304653

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The IUPAC name of 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (CID 170737850) is 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.
What is the SMILES notation for 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The canonical SMILES for 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is CNC(=O)C(CCC=O)N(C)C(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The InChIKey is CEJHEONLHDDNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-6-7-11(16)9-12(10)15(21)18(3)13(5-4-8-19)14(20)17-2/h6-9,13H,4-5H2,1-3H3,(H,17,20).
What are the key properties of 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide has a molecular weight of 294.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is sourced from PubChem (CID 170737850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).