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

C13H14FN3O3 — CID 103296597

IUPAC5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NC2CCC(=O)NC2=O)c1F
InChIInChI=1S/C13H14FN3O3/c1-6-4-7(15)5-8(11(6)14)12(19)16-9-2-3-10(18)17-13(9)20/h4-5,9H,2-3,15H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyCLEUISPSSBOMMF-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.25
Rot. Bonds2

About 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide

5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide (PubChem CID 103296597) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
PubChem CID103296597
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NC2CCC(=O)NC2=O)c1F
InChIInChI=1S/C13H14FN3O3/c1-6-4-7(15)5-8(11(6)14)12(19)16-9-2-3-10(18)17-13(9)20/h4-5,9H,2-3,15H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyCLEUISPSSBOMMF-UHFFFAOYSA-N
XLogP0.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
CID 155583990
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
CID 170749929
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
4-amino-N-(2,6-dioxopiperidin-3-yl)-2,6-dimethylbenzenesulfonamide
CID 79569385
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
CID 168987751
N-(2,6-dioxopiperidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 115747901
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-fluoro-3-methylbenzamide
CID 103295745
5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide
CID 110463812
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide (CID 103296597) is 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)NC2CCC(=O)NC2=O)c1F.
What is the InChIKey of 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is CLEUISPSSBOMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-6-4-7(15)5-8(11(6)14)12(19)16-9-2-3-10(18)17-13(9)20/h4-5,9H,2-3,15H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide?
5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 279.27 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).