N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide

C20H20ClN3O2 — CID 2019625

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
SMILESCc1cccc(N2NC(C(=O)NCCc3ccc(Cl)cc3)=CCC2=O)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-3-2-4-17(13-14)24-19(25)10-9-18(23-24)20(26)22-12-11-15-5-7-16(21)8-6-15/h2-9,13,23H,10-12H2,1H3,(H,22,26)
InChIKeyRFQJMCJKJUJPQU-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide (PubChem CID 2019625) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
PubChem CID2019625
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
SMILESCc1cccc(N2NC(C(=O)NCCc3ccc(Cl)cc3)=CCC2=O)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-3-2-4-17(13-14)24-19(25)10-9-18(23-24)20(26)22-12-11-15-5-7-16(21)8-6-15/h2-9,13,23H,10-12H2,1H3,(H,22,26)
InChIKeyRFQJMCJKJUJPQU-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2024588
2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2024355
2-(3-methylphenyl)-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2007460
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120668
ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate
CID 2010038
1-(3-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 134793395
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109055685
N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide (CID 2019625) is N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide is Cc1cccc(N2NC(C(=O)NCCc3ccc(Cl)cc3)=CCC2=O)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The InChIKey is RFQJMCJKJUJPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-3-2-4-17(13-14)24-19(25)10-9-18(23-24)20(26)22-12-11-15-5-7-16(21)8-6-15/h2-9,13,23H,10-12H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide is sourced from PubChem (CID 2019625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).