N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide

C14H14ClFN4O2 — CID 47089936

IUPACN-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C14H14ClFN4O2/c15-13-11(8-19-20-14(13)22)17-4-5-18-12(21)7-9-2-1-3-10(16)6-9/h1-3,6,8H,4-5,7H2,(H,18,21)(H2,17,20,22)
InChIKeyGZYXRUSFGBWSHL-UHFFFAOYSA-N
MW324.74 g/mol
LogP1.33
Rot. Bonds6

About N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide

N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 47089936) has the molecular formula C14H14ClFN4O2 and a molecular weight of 324.74 g/mol. Its IUPAC name is N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID47089936
Molecular FormulaC14H14ClFN4O2
Molecular Weight324.74 g/mol
Exact Mass324.08
IUPAC NameN-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C14H14ClFN4O2/c15-13-11(8-19-20-14(13)22)17-4-5-18-12(21)7-9-2-1-3-10(16)6-9/h1-3,6,8H,4-5,7H2,(H,18,21)(H2,17,20,22)
InChIKeyGZYXRUSFGBWSHL-UHFFFAOYSA-N
XLogP1.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chloro-2-cyanoanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 133286036
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide
CID 133300301
2-(3-fluorophenyl)-N-(1H-indazol-6-yl)acetamide
CID 36559456
2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
CID 51102003
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
CID 108924377
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
CID 46682264

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide (CID 47089936) is N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NCCNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is GZYXRUSFGBWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O2/c15-13-11(8-19-20-14(13)22)17-4-5-18-12(21)7-9-2-1-3-10(16)6-9/h1-3,6,8H,4-5,7H2,(H,18,21)(H2,17,20,22).
What are the key properties of N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 324.74 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 47089936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).