N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide

C19H16ClFN4O2 — CID 113047929

IUPACN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccccc3F)nn2)cc1Cl
InChIInChI=1S/C19H16ClFN4O2/c1-27-16-7-6-13(11-14(16)20)22-17-8-9-18(25-24-17)23-19(26)10-12-4-2-3-5-15(12)21/h2-9,11H,10H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyOZMMEXKORRUIEZ-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.20
Rot. Bonds6

About N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide

N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 113047929) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
PubChem CID113047929
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC NameN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccccc3F)nn2)cc1Cl
InChIInChI=1S/C19H16ClFN4O2/c1-27-16-7-6-13(11-14(16)20)22-17-8-9-18(25-24-17)23-19(26)10-12-4-2-3-5-15(12)21/h2-9,11H,10H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyOZMMEXKORRUIEZ-UHFFFAOYSA-N
XLogP4.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113047933
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113049086
6-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113019115
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113046519
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833
2-(2-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039450
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide (CID 113047929) is N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide is COc1ccc(Nc2ccc(NC(=O)Cc3ccccc3F)nn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is OZMMEXKORRUIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-27-16-7-6-13(11-14(16)20)22-17-8-9-18(25-24-17)23-19(26)10-12-4-2-3-5-15(12)21/h2-9,11H,10H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide?
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 386.81 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113047929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).