2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide

C11H12FN3O2 — CID 106187784

IUPAC2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESNc1c(F)cccc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H12FN3O2/c12-8-3-1-2-7(10(8)13)11(17)15-6-4-9(16)14-5-6/h1-3,6H,4-5,13H2,(H,14,16)(H,15,17)
InChIKeyUWDWRSBIBBHXRZ-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.03
Rot. Bonds2

About 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide

2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide (PubChem CID 106187784) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
PubChem CID106187784
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESNc1c(F)cccc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H12FN3O2/c12-8-3-1-2-7(10(8)13)11(17)15-6-4-9(16)14-5-6/h1-3,6H,4-5,13H2,(H,14,16)(H,15,17)
InChIKeyUWDWRSBIBBHXRZ-UHFFFAOYSA-N
XLogP0.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
2-hydroxy-5-iodo-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103526859
2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
2-amino-N-(1,1-dioxothian-3-yl)-3-fluorobenzamide
CID 63917121
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
4-hydrazinyl-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 106197858
2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106179800
4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 114154678
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197553
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
2-amino-3-fluoro-N-(2-methylcyclopentyl)benzamide
CID 63279485

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide (CID 106187784) is 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide is Nc1c(F)cccc1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is UWDWRSBIBBHXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-8-3-1-2-7(10(8)13)11(17)15-6-4-9(16)14-5-6/h1-3,6H,4-5,13H2,(H,14,16)(H,15,17).
What are the key properties of 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide?
2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 237.23 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 106187784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).