5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide

C13H16FN3O2 — CID 71975561

IUPAC5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
SMILESCc1cc(NC2CCN(C)C2=O)c(C(N)=O)cc1F
InChIInChI=1S/C13H16FN3O2/c1-7-5-11(8(12(15)18)6-9(7)14)16-10-3-4-17(2)13(10)19/h5-6,10,16H,3-4H2,1-2H3,(H2,15,18)
InChIKeyQBLZEFAGUVPTQE-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.88
Rot. Bonds3

About 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide

5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide (PubChem CID 71975561) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
PubChem CID71975561
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
SMILESCc1cc(NC2CCN(C)C2=O)c(C(N)=O)cc1F
InChIInChI=1S/C13H16FN3O2/c1-7-5-11(8(12(15)18)6-9(7)14)16-10-3-4-17(2)13(10)19/h5-6,10,16H,3-4H2,1-2H3,(H2,15,18)
InChIKeyQBLZEFAGUVPTQE-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 106259003
2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 114165297
(3R)-3-(5-bromo-2,4-difluoroanilino)-1-methylpyrrolidin-2-one
CID 99824677
3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 114165050
4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-nitrobenzoic acid
CID 106257167
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 106256382
3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257583
(3S)-3-(3,5-difluoroanilino)-1-methylpyrrolidin-2-one
CID 129369948
3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 71975573
2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113251113
2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249453
3-(3,5-difluoro-2-nitroanilino)-1-methylpyrrolidin-2-one
CID 106258508

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
The IUPAC name of 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide (CID 71975561) is 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide is Cc1cc(NC2CCN(C)C2=O)c(C(N)=O)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
The InChIKey is QBLZEFAGUVPTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7-5-11(8(12(15)18)6-9(7)14)16-10-3-4-17(2)13(10)19/h5-6,10,16H,3-4H2,1-2H3,(H2,15,18).
What are the key properties of 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide has a molecular weight of 265.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 71975561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).