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

C12H15FN4O2 — CID 106259003

IUPAC2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
SMILESCN1CCC(Nc2cc(C(N)=O)c(N)cc2F)C1=O
InChIInChI=1S/C12H15FN4O2/c1-17-3-2-9(12(17)19)16-10-4-6(11(15)18)8(14)5-7(10)13/h4-5,9,16H,2-3,14H2,1H3,(H2,15,18)
InChIKeyDDMDEJIHAIOXDR-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.15
Rot. Bonds3

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

2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide (PubChem CID 106259003) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
PubChem CID106259003
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
SMILESCN1CCC(Nc2cc(C(N)=O)c(N)cc2F)C1=O
InChIInChI=1S/C12H15FN4O2/c1-17-3-2-9(12(17)19)16-10-4-6(11(15)18)8(14)5-7(10)13/h4-5,9,16H,2-3,14H2,1H3,(H2,15,18)
InChIKeyDDMDEJIHAIOXDR-UHFFFAOYSA-N
XLogP0.15
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 71975561
2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 114165297
4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-nitrobenzoic acid
CID 106257167
(3R)-3-(5-bromo-2,4-difluoroanilino)-1-methylpyrrolidin-2-one
CID 99824677
2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249453
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 106256382
2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide
CID 63998408
3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
CID 106251681
3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257583
2-amino-4-fluoro-5-(2-pyrrolidin-1-ylethylamino)benzamide
CID 62640366
(1-methyl-2-oxopyrrolidin-3-yl) 4-amino-2,5-difluorobenzoate
CID 104700293
(3S)-3-(3,5-difluoroanilino)-1-methylpyrrolidin-2-one
CID 129369948

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
The IUPAC name of 2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide (CID 106259003) is 2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide is CN1CCC(Nc2cc(C(N)=O)c(N)cc2F)C1=O.
What is the InChIKey of 2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
The InChIKey is DDMDEJIHAIOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c1-17-3-2-9(12(17)19)16-10-4-6(11(15)18)8(14)5-7(10)13/h4-5,9,16H,2-3,14H2,1H3,(H2,15,18).
What are the key properties of 2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide has a molecular weight of 266.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 106259003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).