5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C14H17F2N3O2 — CID 61108974

IUPAC5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H17F2N3O2/c1-18(8-13(20)19-4-2-3-5-19)14(21)9-6-12(17)11(16)7-10(9)15/h6-7H,2-5,8,17H2,1H3
InChIKeyAJVHBAURGOZJBD-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 61108974) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID61108974
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H17F2N3O2/c1-18(8-13(20)19-4-2-3-5-19)14(21)9-6-12(17)11(16)7-10(9)15/h6-7H,2-5,8,17H2,1H3
InChIKeyAJVHBAURGOZJBD-UHFFFAOYSA-N
XLogP1.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 63110335
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 79759555
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 107722529
3-bromo-2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 106547783
2-hydroxy-N,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 47140666
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
4-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 51095335

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 61108974) is 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is CN(CC(=O)N1CCCC1)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is AJVHBAURGOZJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-18(8-13(20)19-4-2-3-5-19)14(21)9-6-12(17)11(16)7-10(9)15/h6-7H,2-5,8,17H2,1H3.
What are the key properties of 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 297.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 61108974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).