2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide

C20H23FN4O3 — CID 56881773

IUPAC2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide
SMILESCc1c(C#N)c2ccccc2n1CC(=O)N1CCOCC1CC(=O)NCCF
InChIInChI=1S/C20H23FN4O3/c1-14-17(11-22)16-4-2-3-5-18(16)25(14)12-20(27)24-8-9-28-13-15(24)10-19(26)23-7-6-21/h2-5,15H,6-10,12-13H2,1H3,(H,23,26)
InChIKeyIMVWMZIEWURYLA-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.52
Rot. Bonds6

About 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide

2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide (PubChem CID 56881773) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide
PubChem CID56881773
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide
SMILESCc1c(C#N)c2ccccc2n1CC(=O)N1CCOCC1CC(=O)NCCF
InChIInChI=1S/C20H23FN4O3/c1-14-17(11-22)16-4-2-3-5-18(16)25(14)12-20(27)24-8-9-28-13-15(24)10-19(26)23-7-6-21/h2-5,15H,6-10,12-13H2,1H3,(H,23,26)
InChIKeyIMVWMZIEWURYLA-UHFFFAOYSA-N
XLogP1.52
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-2-methylindol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 56707417
2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 668670
2-(3-cyano-2-methylindol-1-yl)acetate
CID 6957155
N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide
CID 95718308
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412
2-methyl-1-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]indole-3-carbonitrile
CID 50983314
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(3S)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]morpholin-3-yl]acetamide
CID 95888882
2-(3-cyano-2-methylindol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95203720
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide
CID 95891518
2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide
CID 95863044
2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide
CID 95889150
N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide
CID 90447485

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide?
The IUPAC name of 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide (CID 56881773) is 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide?
The canonical SMILES for 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide is Cc1c(C#N)c2ccccc2n1CC(=O)N1CCOCC1CC(=O)NCCF.
What is the InChIKey of 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide?
The InChIKey is IMVWMZIEWURYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-14-17(11-22)16-4-2-3-5-18(16)25(14)12-20(27)24-8-9-28-13-15(24)10-19(26)23-7-6-21/h2-5,15H,6-10,12-13H2,1H3,(H,23,26).
What are the key properties of 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide?
2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide has a molecular weight of 386.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide is sourced from PubChem (CID 56881773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).