N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide

C18H17FN4O2 — CID 20516904

IUPACN-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2F)c(N)c1
InChIInChI=1S/C18H17FN4O2/c1-10-8-16(24)22-23-17(10)11-6-7-15(14(20)9-11)21-18(25)12-4-2-3-5-13(12)19/h2-7,9-10H,8,20H2,1H3,(H,21,25)(H,22,24)
InChIKeyUWSVBBXOFXRJHE-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.52
Rot. Bonds3

About N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide

N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide (PubChem CID 20516904) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide
PubChem CID20516904
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2F)c(N)c1
InChIInChI=1S/C18H17FN4O2/c1-10-8-16(24)22-23-17(10)11-6-7-15(14(20)9-11)21-18(25)12-4-2-3-5-13(12)19/h2-7,9-10H,8,20H2,1H3,(H,21,25)(H,22,24)
InChIKeyUWSVBBXOFXRJHE-UHFFFAOYSA-N
XLogP2.52
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 23647030
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082421
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide
CID 20765693
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]furan-2-carboxamide
CID 13228917
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805020
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 154945851
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170346210
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide (CID 20516904) is N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide is CC1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2F)c(N)c1.
What is the InChIKey of N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide?
The InChIKey is UWSVBBXOFXRJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-10-8-16(24)22-23-17(10)11-6-7-15(14(20)9-11)21-18(25)12-4-2-3-5-13(12)19/h2-7,9-10H,8,20H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide?
N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide has a molecular weight of 340.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 20516904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).