N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide

C21H25ClFN3O2 — CID 4878610

IUPACN-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide
SMILESO=C(CNCC(c1ccc(F)cc1)N1CCOCC1)NCc1ccccc1Cl
InChIInChI=1S/C21H25ClFN3O2/c22-19-4-2-1-3-17(19)13-25-21(27)15-24-14-20(26-9-11-28-12-10-26)16-5-7-18(23)8-6-16/h1-8,20,24H,9-15H2,(H,25,27)
InChIKeyBQUDCTSTBMTKOH-UHFFFAOYSA-N
MW405.90 g/mol
LogP2.76
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide

N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide (PubChem CID 4878610) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide
PubChem CID4878610
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide
SMILESO=C(CNCC(c1ccc(F)cc1)N1CCOCC1)NCc1ccccc1Cl
InChIInChI=1S/C21H25ClFN3O2/c22-19-4-2-1-3-17(19)13-25-21(27)15-24-14-20(26-9-11-28-12-10-26)16-5-7-18(23)8-6-16/h1-8,20,24H,9-15H2,(H,25,27)
InChIKeyBQUDCTSTBMTKOH-UHFFFAOYSA-N
XLogP2.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cetirizine amide
CID 3068840
2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
2-(2-chloro-6-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide
CID 1094119
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
N-(4-chlorobenzyl)-2-(2,6-dimethyl-4-morpholinyl)acetamide
CID 6465678
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanamine
CID 77434493
N-[2-[2-[2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118109288
N-[(1E)-1-(2-chlorophenyl)-3-{[2-(morpholin-4-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]benzamide
CID 1834275
2-[3-(2-chloro-4-fluorobenzyl)-2-oxotetrahydropyrimidin-1(2H)-yl]-N-(4-methylcyclohexyl)acetamide
CID 3239880
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide
CID 9551256
N-[2-(4-chlorophenyl)-2-(morpholin-4-yl)ethyl]-2-fluorobenzamide
CID 16015155

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide (CID 4878610) is N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide is O=C(CNCC(c1ccc(F)cc1)N1CCOCC1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide?
The InChIKey is BQUDCTSTBMTKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c22-19-4-2-1-3-17(19)13-25-21(27)15-24-14-20(26-9-11-28-12-10-26)16-5-7-18(23)8-6-16/h1-8,20,24H,9-15H2,(H,25,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide has a molecular weight of 405.90 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 4878610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).