N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide

C22H15Cl2N3O3 — CID 2033424

IUPACN-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C22H15Cl2N3O3/c1-13-20(28)19(14-7-9-15(23)10-8-14)21(25-22(29)18-6-3-11-30-18)27(26-13)17-5-2-4-16(24)12-17/h2-12H,1H3,(H,25,29)
InChIKeyZLBLUETXJVBXEP-UHFFFAOYSA-N
MW440.29 g/mol
LogP5.36
Rot. Bonds4

About N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide

N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide (PubChem CID 2033424) has the molecular formula C22H15Cl2N3O3 and a molecular weight of 440.29 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
PubChem CID2033424
Molecular FormulaC22H15Cl2N3O3
Molecular Weight440.29 g/mol
Exact Mass439.05
IUPAC NameN-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C22H15Cl2N3O3/c1-13-20(28)19(14-7-9-15(23)10-8-14)21(25-22(29)18-6-3-11-30-18)27(26-13)17-5-2-4-16(24)12-17/h2-12H,1H3,(H,25,29)
InChIKeyZLBLUETXJVBXEP-UHFFFAOYSA-N
XLogP5.36
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.29
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033226
N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide
CID 2035531
N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide
CID 16957135
4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide
CID 2031982
N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]furan-2-carboxamide
CID 4895274
N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide
CID 2030440
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468179
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55933626
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
ethyl 3-(3-chlorophenyl)-5-(furan-2-carbonylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16818989
N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2035296
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 661545

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide (CID 2033424) is N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide is Cc1nn(-c2cccc(Cl)c2)c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide?
The InChIKey is ZLBLUETXJVBXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O3/c1-13-20(28)19(14-7-9-15(23)10-8-14)21(25-22(29)18-6-3-11-30-18)27(26-13)17-5-2-4-16(24)12-17/h2-12H,1H3,(H,25,29).
What are the key properties of N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide?
N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide has a molecular weight of 440.29 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 2033424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).