2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide

C18H26F2N2O3 — CID 29303216

IUPAC2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2ccccc2OC(F)F)C[C@@H](C)O1
InChIInChI=1S/C18H26F2N2O3/c1-12-9-22(10-13(2)24-12)18(3,4)11-21-16(23)14-7-5-6-8-15(14)25-17(19)20/h5-8,12-13,17H,9-11H2,1-4H3,(H,21,23)/t12-,13-/m1/s1
InChIKeyZDCQBXFORRXVFD-CHWSQXEVSA-N
MW356.41 g/mol
LogP2.91
Rot. Bonds6

About 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide

2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide (PubChem CID 29303216) has the molecular formula C18H26F2N2O3 and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
PubChem CID29303216
Molecular FormulaC18H26F2N2O3
Molecular Weight356.41 g/mol
Exact Mass356.19
IUPAC Name2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2ccccc2OC(F)F)C[C@@H](C)O1
InChIInChI=1S/C18H26F2N2O3/c1-12-9-22(10-13(2)24-12)18(3,4)11-21-16(23)14-7-5-6-8-15(14)25-17(19)20/h5-8,12-13,17H,9-11H2,1-4H3,(H,21,23)/t12-,13-/m1/s1
InChIKeyZDCQBXFORRXVFD-CHWSQXEVSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47020165
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 29295157
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenoxy)acetamide
CID 51931304
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide
CID 29299185
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 17435653
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 42934547
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide
CID 29299383
3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide
CID 30889082

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide (CID 29303216) is 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide is C[C@@H]1CN(C(C)(C)CNC(=O)c2ccccc2OC(F)F)C[C@@H](C)O1.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
The InChIKey is ZDCQBXFORRXVFD-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H26F2N2O3/c1-12-9-22(10-13(2)24-12)18(3,4)11-21-16(23)14-7-5-6-8-15(14)25-17(19)20/h5-8,12-13,17H,9-11H2,1-4H3,(H,21,23)/t12-,13-/m1/s1.
What are the key properties of 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide?
2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide has a molecular weight of 356.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 29303216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).