2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide

C18H21ClFN5O2 — CID 122321685

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C18H21ClFN5O2/c19-15-2-1-3-16(20)14(15)11-18(26)22-5-4-21-17-10-13(12-23-24-17)25-6-8-27-9-7-25/h1-3,10,12H,4-9,11H2,(H,21,24)(H,22,26)
InChIKeyQUISUBLEEXZJDL-UHFFFAOYSA-N
MW393.85 g/mol
LogP1.88
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122321685) has the molecular formula C18H21ClFN5O2 and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122321685
Molecular FormulaC18H21ClFN5O2
Molecular Weight393.85 g/mol
Exact Mass393.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C18H21ClFN5O2/c19-15-2-1-3-16(20)14(15)11-18(26)22-5-4-21-17-10-13(12-23-24-17)25-6-8-27-9-7-25/h1-3,10,12H,4-9,11H2,(H,21,24)(H,22,26)
InChIKeyQUISUBLEEXZJDL-UHFFFAOYSA-N
XLogP1.88
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
2-(2-chloro-6-fluorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide
CID 122295266
5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122321690
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122321653
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
CID 122321432
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-6-oxopyran-3-carboxamide
CID 122321526
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]cyclobutanecarboxamide
CID 122321586
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 122321620
2-(2-methylphenoxy)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321557
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122321698
2-(2-chloro-6-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122308294

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122321685) is 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCCNc1cc(N2CCOCC2)cnn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is QUISUBLEEXZJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN5O2/c19-15-2-1-3-16(20)14(15)11-18(26)22-5-4-21-17-10-13(12-23-24-17)25-6-8-27-9-7-25/h1-3,10,12H,4-9,11H2,(H,21,24)(H,22,26).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 393.85 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122321685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).