3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C15H20FN3O2 — CID 115597811

IUPAC3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1c(N)cc(C(=O)NCCC(=O)N2CCCC2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-10-12(16)8-11(9-13(10)17)15(21)18-5-4-14(20)19-6-2-3-7-19/h8-9H,2-7,17H2,1H3,(H,18,21)
InChIKeyMGZYTCXAJJGRQM-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 115597811) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID115597811
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1c(N)cc(C(=O)NCCC(=O)N2CCCC2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-10-12(16)8-11(9-13(10)17)15(21)18-5-4-14(20)19-6-2-3-7-19/h8-9H,2-7,17H2,1H3,(H,18,21)
InChIKeyMGZYTCXAJJGRQM-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.46
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

4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115595590
3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 83013511
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
CID 63314478
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
3-(2-amino-4-fluoro-5-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 103590704
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 115597811) is 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is Cc1c(N)cc(C(=O)NCCC(=O)N2CCCC2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is MGZYTCXAJJGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-12(16)8-11(9-13(10)17)15(21)18-5-4-14(20)19-6-2-3-7-19/h8-9H,2-7,17H2,1H3,(H,18,21).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 293.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 115597811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).