N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide

C16H22F2N2O2 — CID 90607041

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

About N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide

N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide (PubChem CID 90607041) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide
PubChem CID90607041
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide
SMILESCN(C)CCN(C(=O)c1ccc(F)c(F)c1)C1CCOCC1
InChIInChI=1S/C16H22F2N2O2/c1-19(2)7-8-20(13-5-9-22-10-6-13)16(21)12-3-4-14(17)15(18)11-12/h3-4,11,13H,5-10H2,1-2H3
InChIKeyPZBKLCOHEBSYAU-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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide
CID 90607094
5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide
CID 90607046
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 60565522
N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 90606973
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 4-[(3,4-difluorobenzoyl)-methylamino]piperidine-1-carboxylate
CID 110868280
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
CID 113094199
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea
CID 118783245
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide (CID 90607041) is N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide is CN(C)CCN(C(=O)c1ccc(F)c(F)c1)C1CCOCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide?
The InChIKey is PZBKLCOHEBSYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-19(2)7-8-20(13-5-9-22-10-6-13)16(21)12-3-4-14(17)15(18)11-12/h3-4,11,13H,5-10H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide?
N-[2-(dimethylamino)ethyl]-3,4-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]-3,4-difluoro-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 90607041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).