2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide

C16H23FN2O2 — CID 110368946

IUPAC2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
SMILESCCCNC(=O)N1CC(c2ccccc2F)OCC1(C)C
InChIInChI=1S/C16H23FN2O2/c1-4-9-18-15(20)19-10-14(21-11-16(19,2)3)12-7-5-6-8-13(12)17/h5-8,14H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyFXROIZNTOJDSTM-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.10
Rot. Bonds3

About 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide

2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide (PubChem CID 110368946) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
PubChem CID110368946
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
SMILESCCCNC(=O)N1CC(c2ccccc2F)OCC1(C)C
InChIInChI=1S/C16H23FN2O2/c1-4-9-18-15(20)19-10-14(21-11-16(19,2)3)12-7-5-6-8-13(12)17/h5-8,14H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyFXROIZNTOJDSTM-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110368936
2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone
CID 110368917
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
2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide
CID 111755074
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide
CID 102555836
2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110746745
4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368984
4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368961
2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide
CID 71879749

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide (CID 110368946) is 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide is CCCNC(=O)N1CC(c2ccccc2F)OCC1(C)C.
What is the InChIKey of 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide?
The InChIKey is FXROIZNTOJDSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-9-18-15(20)19-10-14(21-11-16(19,2)3)12-7-5-6-8-13(12)17/h5-8,14H,4,9-11H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide?
2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide is sourced from PubChem (CID 110368946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).