3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide

C15H20F2N2O2 — CID 49093391

IUPAC3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
SMILESCN1CCOC(CNC(=O)CCc2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O2/c1-19-6-7-21-13(10-19)9-18-15(20)5-2-11-8-12(16)3-4-14(11)17/h3-4,8,13H,2,5-7,9-10H2,1H3,(H,18,20)
InChIKeyNLRWTOOJTOACTA-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.34
Rot. Bonds5

About 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide

3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide (PubChem CID 49093391) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
PubChem CID49093391
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
SMILESCN1CCOC(CNC(=O)CCc2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O2/c1-19-6-7-21-13(10-19)9-18-15(20)5-2-11-8-12(16)3-4-14(11)17/h3-4,8,13H,2,5-7,9-10H2,1H3,(H,18,20)
InChIKeyNLRWTOOJTOACTA-UHFFFAOYSA-N
XLogP1.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25022354
N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461
1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 889499
2-(4-fluorophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2228387
Ethyl 4-[(3-phenylpropanoyl)amino]piperidine-1-carboxylate
CID 4566793
2-(2-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 4882745
2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6466545
N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 885902
(R)-3-Amino-1-((R)-3-benzyl-morpholin-4-yl)-4-(2-fluoro-phenyl)-butan-1-one
CID 10183667
(R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(methoxymethyl)piperazin-2-one
CID 25055741
(R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(ethoxymethyl)piperazin-2-one
CID 25055743

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide (CID 49093391) is 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide is CN1CCOC(CNC(=O)CCc2cc(F)ccc2F)C1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide?
The InChIKey is NLRWTOOJTOACTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-19-6-7-21-13(10-19)9-18-15(20)5-2-11-8-12(16)3-4-14(11)17/h3-4,8,13H,2,5-7,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide?
3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide has a molecular weight of 298.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide is sourced from PubChem (CID 49093391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).