N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide

C14H13FN2O4 — CID 154690274

IUPACN-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN2O4/c1-8-9(3-2-4-10(8)15)14(21)17(7-18)11-5-6-12(19)16-13(11)20/h2-4,7,11H,5-6H2,1H3,(H,16,19,20)
InChIKeyAWCPHWZEWFEDON-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.54
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide

N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide (PubChem CID 154690274) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
PubChem CID154690274
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN2O4/c1-8-9(3-2-4-10(8)15)14(21)17(7-18)11-5-6-12(19)16-13(11)20/h2-4,7,11H,5-6H2,1H3,(H,16,19,20)
InChIKeyAWCPHWZEWFEDON-UHFFFAOYSA-N
XLogP0.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,4-dimethylbenzamide;ethane
CID 170953386
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 145229590
3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170384418
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide
CID 168946490
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
CID 155358156
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
CID 145256134
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[[4-[[4-(trifluoromethylsulfanyl)piperazin-1-yl]methyl]phenyl]methoxy]benzamide
CID 130312159
2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide
CID 145381944
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-propan-2-ylbenzamide;N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-6-propan-2-ylphenyl)methyl]formamide
CID 162438893
3-[[(2E,4E)-6-(azocan-1-yl)-2-ethenyl-5-methylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170003163

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide (CID 154690274) is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide is Cc1c(F)cccc1C(=O)N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide?
The InChIKey is AWCPHWZEWFEDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-8-9(3-2-4-10(8)15)14(21)17(7-18)11-5-6-12(19)16-13(11)20/h2-4,7,11H,5-6H2,1H3,(H,16,19,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide?
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide has a molecular weight of 292.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide is sourced from PubChem (CID 154690274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).