N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide

C20H18ClFN4O — CID 113045257

IUPACN-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C20H18ClFN4O/c21-16-3-1-2-14(12-16)10-11-23-18-8-9-19(26-25-18)24-20(27)13-15-4-6-17(22)7-5-15/h1-9,12H,10-11,13H2,(H,23,25)(H,24,26,27)
InChIKeyVMCIGRMKXLJJOO-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.10
Rot. Bonds7

About N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide

N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 113045257) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID113045257
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC NameN-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C20H18ClFN4O/c21-16-3-1-2-14(12-16)10-11-23-18-8-9-19(26-25-18)24-20(27)13-15-4-6-17(22)7-5-15/h1-9,12H,10-11,13H2,(H,23,25)(H,24,26,27)
InChIKeyVMCIGRMKXLJJOO-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24955953
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CID 74982756
N-[6-[4-[5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
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2-(2-chloro-6-fluorophenyl)-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-4-yl]acetamide
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1-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(2,2,2-trifluoroethyl)phenyl]ethanone
CID 139547948
1-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide (CID 113045257) is N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(NCCc2cccc(Cl)c2)nn1.
What is the InChIKey of N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is VMCIGRMKXLJJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-16-3-1-2-14(12-16)10-11-23-18-8-9-19(26-25-18)24-20(27)13-15-4-6-17(22)7-5-15/h1-9,12H,10-11,13H2,(H,23,25)(H,24,26,27).
What are the key properties of N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide?
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 384.84 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113045257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).