N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide

C20H23FN2O2 — CID 110368936

IUPACN-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
SMILESCC1(C)COC(c2ccccc2F)CN1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-20(2)14-25-18(16-10-6-7-11-17(16)21)13-23(20)19(24)22-12-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3,(H,22,24)
InChIKeyUYFILAUZZHFIRX-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.89
Rot. Bonds3

About N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide

N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide (PubChem CID 110368936) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
PubChem CID110368936
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
SMILESCC1(C)COC(c2ccccc2F)CN1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-20(2)14-25-18(16-10-6-7-11-17(16)21)13-23(20)19(24)22-12-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3,(H,22,24)
InChIKeyUYFILAUZZHFIRX-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
CID 110368946
2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone
CID 110368917
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
CID 110749603
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110746745
1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
CID 110368988
2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110368983
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
CID 110327554
ethyl (3R,3aS,8bS)-1-(benzylcarbamoyl)-5-fluoro-2,3,3a,8b-tetrahydro-[1]benzofuro[3,2-b]pyrrole-3-carboxylate
CID 134787050
N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide
CID 110747314
2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119769741
3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61428498

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide (CID 110368936) is N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide is CC1(C)COC(c2ccccc2F)CN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide?
The InChIKey is UYFILAUZZHFIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-20(2)14-25-18(16-10-6-7-11-17(16)21)13-23(20)19(24)22-12-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide?
N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 110368936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).