2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

C16H22F2N2O2 — CID 39485652

IUPAC2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C16H22F2N2O2/c1-11(2)9-20-6-7-22-12(10-20)8-19-16(21)15-13(17)4-3-5-14(15)18/h3-5,11-12H,6-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyDKYKFPSEXPNYET-GFCCVEGCSA-N
MW312.36 g/mol
LogP2.05
Rot. Bonds5

About 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 39485652) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
PubChem CID39485652
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C16H22F2N2O2/c1-11(2)9-20-6-7-22-12(10-20)8-19-16(21)15-13(17)4-3-5-14(15)18/h3-5,11-12H,6-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyDKYKFPSEXPNYET-GFCCVEGCSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 46523422
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (CID 39485652) is 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is CC(C)CN1CCO[C@H](CNC(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is DKYKFPSEXPNYET-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-11(2)9-20-6-7-22-12(10-20)8-19-16(21)15-13(17)4-3-5-14(15)18/h3-5,11-12H,6-10H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 312.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 39485652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).