N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide

C18H14ClFN4O — CID 109119784

IUPACN-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C18H14ClFN4O/c19-15-7-2-1-4-12(15)11-21-18(25)16-8-9-17(24-23-16)22-14-6-3-5-13(20)10-14/h1-10H,11H2,(H,21,25)(H,22,24)
InChIKeyGRFBCCBMGJKIDS-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.94
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109119784) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109119784
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C18H14ClFN4O/c19-15-7-2-1-4-12(15)11-21-18(25)16-8-9-17(24-23-16)22-14-6-3-5-13(20)10-14/h1-10H,11H2,(H,21,25)(H,22,24)
InChIKeyGRFBCCBMGJKIDS-UHFFFAOYSA-N
XLogP3.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109119776
N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109119766
methyl 3-[[6-[(2-chlorophenyl)methylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109119781
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114048
6-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119356
N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130088
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
N-[(2-fluorophenyl)methyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109119336

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide (CID 109119784) is N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(Nc2cccc(F)c2)nn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is GRFBCCBMGJKIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-15-7-2-1-4-12(15)11-21-18(25)16-8-9-17(24-23-16)22-14-6-3-5-13(20)10-14/h1-10H,11H2,(H,21,25)(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109119784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).