2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide

C17H22F2N4O2 — CID 86911193

IUPAC2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide
SMILESN#CCCN(CCN1CCOCC1)CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C17H22F2N4O2/c18-14-2-3-15(19)16(12-14)21-17(24)13-23(5-1-4-20)7-6-22-8-10-25-11-9-22/h2-3,12H,1,5-11,13H2,(H,21,24)
InChIKeyGAWVBPNARHEVPD-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.45
Rot. Bonds8

About 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide (PubChem CID 86911193) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide
PubChem CID86911193
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide
SMILESN#CCCN(CCN1CCOCC1)CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C17H22F2N4O2/c18-14-2-3-15(19)16(12-14)21-17(24)13-23(5-1-4-20)7-6-22-8-10-25-11-9-22/h2-3,12H,1,5-11,13H2,(H,21,24)
InChIKeyGAWVBPNARHEVPD-UHFFFAOYSA-N
XLogP1.45
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 78823309
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide
CID 78821303
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 78823441
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide
CID 78821439
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113160688
3-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]propanenitrile
CID 86911559
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520123

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide (CID 86911193) is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide is N#CCCN(CCN1CCOCC1)CC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is GAWVBPNARHEVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c18-14-2-3-15(19)16(12-14)21-17(24)13-23(5-1-4-20)7-6-22-8-10-25-11-9-22/h2-3,12H,1,5-11,13H2,(H,21,24).
What are the key properties of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide?
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 86911193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).