3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C14H17F2N3O2 — CID 79759555

IUPAC3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H17F2N3O2/c1-18(8-11(20)19-6-2-3-7-19)14(21)12-9(15)4-5-10(17)13(12)16/h4-5H,2-3,6-8,17H2,1H3
InChIKeySIDZKQDNOMKNCM-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 79759555) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID79759555
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H17F2N3O2/c1-18(8-11(20)19-6-2-3-7-19)14(21)12-9(15)4-5-10(17)13(12)16/h4-5H,2-3,6-8,17H2,1H3
InChIKeySIDZKQDNOMKNCM-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

methyl 2-[(3-amino-2,6-difluorobenzoyl)-methylamino]acetate
CID 79773010
3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79772944
5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 61108974
2-amino-4-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 63110335
3-bromo-2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 106547783
2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
1-(azepan-1-yl)-2-(3,4-difluoro-N-methylanilino)ethanone
CID 60572912
3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 79759533
6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63979533
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
CID 79773079

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 79759555) is 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is CN(CC(=O)N1CCCC1)C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is SIDZKQDNOMKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-18(8-11(20)19-6-2-3-7-19)14(21)12-9(15)4-5-10(17)13(12)16/h4-5H,2-3,6-8,17H2,1H3.
What are the key properties of 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
3-amino-2,6-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 3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 79759555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).