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

C14H19F2N3O — CID 63207024

IUPAC5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H19F2N3O/c1-18(6-7-19-4-2-3-5-19)14(20)10-8-13(17)12(16)9-11(10)15/h8-9H,2-7,17H2,1H3
InChIKeyYXIFKNCQTWKHPR-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.71
Rot. Bonds4

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

5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 63207024) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID63207024
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H19F2N3O/c1-18(6-7-19-4-2-3-5-19)14(20)10-8-13(17)12(16)9-11(10)15/h8-9H,2-7,17H2,1H3
InChIKeyYXIFKNCQTWKHPR-UHFFFAOYSA-N
XLogP1.71
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 63207024) is 5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is CN(CCN1CCCC1)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is YXIFKNCQTWKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-18(6-7-19-4-2-3-5-19)14(20)10-8-13(17)12(16)9-11(10)15/h8-9H,2-7,17H2,1H3.
What are the key properties of 5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 283.32 g/mol, XLogP of 1.71, 4 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-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 63207024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).