2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C12H14FN3O2 — CID 106249453

IUPAC2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(F)cc2N)C1=O
InChIInChI=1S/C12H14FN3O2/c1-16-5-4-10(12(16)18)15-11(17)8-3-2-7(13)6-9(8)14/h2-3,6,10H,4-5,14H2,1H3,(H,15,17)
InChIKeyORWMNNAGKFJLIU-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.37
Rot. Bonds2

About 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 106249453) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID106249453
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(F)cc2N)C1=O
InChIInChI=1S/C12H14FN3O2/c1-16-5-4-10(12(16)18)15-11(17)8-3-2-7(13)6-9(8)14/h2-3,6,10H,4-5,14H2,1H3,(H,15,17)
InChIKeyORWMNNAGKFJLIU-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113251113
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
2-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 103765338
2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114164962
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 119782044
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 114194096
3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249454
2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide
CID 62073290
4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106249461

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 106249453) is 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2ccc(F)cc2N)C1=O.
What is the InChIKey of 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is ORWMNNAGKFJLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-16-5-4-10(12(16)18)15-11(17)8-3-2-7(13)6-9(8)14/h2-3,6,10H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 251.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 106249453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).