N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide

C16H22F2N2O2 — CID 90607094

IUPACN-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide
SMILESCN(C)CCN(C(=O)c1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C16H22F2N2O2/c1-19(2)7-8-20(13-5-9-22-10-6-13)16(21)14-4-3-12(17)11-15(14)18/h3-4,11,13H,5-10H2,1-2H3
InChIKeyPMLUSYQEVMQCAE-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide

N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide (PubChem CID 90607094) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide
PubChem CID90607094
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide
SMILESCN(C)CCN(C(=O)c1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C16H22F2N2O2/c1-19(2)7-8-20(13-5-9-22-10-6-13)16(21)14-4-3-12(17)11-15(14)18/h3-4,11,13H,5-10H2,1-2H3
InChIKeyPMLUSYQEVMQCAE-UHFFFAOYSA-N
XLogP2.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-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 N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide (CID 90607094) is N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide is CN(C)CCN(C(=O)c1ccc(F)cc1F)C1CCOCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide?
The InChIKey is PMLUSYQEVMQCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-19(2)7-8-20(13-5-9-22-10-6-13)16(21)14-4-3-12(17)11-15(14)18/h3-4,11,13H,5-10H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide?
N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide has a molecular weight of 312.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 90607094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).