N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide

C22H26F2N2O2 — CID 166187099

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1ccc(CN2CCOC(C)C2)cc1
InChIInChI=1S/C22H26F2N2O2/c1-15(12-19-20(23)4-3-5-21(19)24)25-22(27)18-8-6-17(7-9-18)14-26-10-11-28-16(2)13-26/h3-9,15-16H,10-14H2,1-2H3,(H,25,27)
InChIKeyUYZXPDKGNGFTTK-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.55
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide

N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide (PubChem CID 166187099) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
PubChem CID166187099
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1ccc(CN2CCOC(C)C2)cc1
InChIInChI=1S/C22H26F2N2O2/c1-15(12-19-20(23)4-3-5-21(19)24)25-22(27)18-8-6-17(7-9-18)14-26-10-11-28-16(2)13-26/h3-9,15-16H,10-14H2,1-2H3,(H,25,27)
InChIKeyUYZXPDKGNGFTTK-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
CID 47027052
3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63569378
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55877687
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99939718
N-(6-methoxy-3-pyridinyl)-4-[(2-methylmorpholin-4-yl)methyl]benzamide
CID 47027041
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
2-fluoro-3-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 107119326
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide
CID 55861005
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 124682570

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide (CID 166187099) is N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide is CC(Cc1c(F)cccc1F)NC(=O)c1ccc(CN2CCOC(C)C2)cc1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide?
The InChIKey is UYZXPDKGNGFTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-15(12-19-20(23)4-3-5-21(19)24)25-22(27)18-8-6-17(7-9-18)14-26-10-11-28-16(2)13-26/h3-9,15-16H,10-14H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide has a molecular weight of 388.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide is sourced from PubChem (CID 166187099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).