3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide

C13H17F2N3O — CID 63185967

IUPAC3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCNc1c(F)cc(C(=O)NC2CCN(C)C2)cc1F
InChIInChI=1S/C13H17F2N3O/c1-16-12-10(14)5-8(6-11(12)15)13(19)17-9-3-4-18(2)7-9/h5-6,9,16H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyJFHPIMKVUUXTSB-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.44
Rot. Bonds3

About 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide

3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 63185967) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID63185967
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCNc1c(F)cc(C(=O)NC2CCN(C)C2)cc1F
InChIInChI=1S/C13H17F2N3O/c1-16-12-10(14)5-8(6-11(12)15)13(19)17-9-3-4-18(2)7-9/h5-6,9,16H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyJFHPIMKVUUXTSB-UHFFFAOYSA-N
XLogP1.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)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 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide (CID 63185967) is 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide is CNc1c(F)cc(C(=O)NC2CCN(C)C2)cc1F.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is JFHPIMKVUUXTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-16-12-10(14)5-8(6-11(12)15)13(19)17-9-3-4-18(2)7-9/h5-6,9,16H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 269.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 63185967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).