N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C16H15Cl2N3O2 — CID 122280002

IUPACN-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)cc(Cl)c1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H15Cl2N3O2/c1-9(16(23)19-13-7-11(17)6-12(18)8-13)21-15(22)5-10-3-2-4-14(10)20-21/h5-9H,2-4H2,1H3,(H,19,23)
InChIKeyPDEAGFLEGMCTCE-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.24
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280002) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122280002
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)cc(Cl)c1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H15Cl2N3O2/c1-9(16(23)19-13-7-11(17)6-12(18)8-13)21-15(22)5-10-3-2-4-14(10)20-21/h5-9H,2-4H2,1H3,(H,19,23)
InChIKeyPDEAGFLEGMCTCE-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279989
N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280323
N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279954
N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280182
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280060
N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279941
N-(2,4-difluorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279913
N-(6-methyl-2-pyridinyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279940
N-(2-chloro-4-nitrophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280229
N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279868
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 137067448
N-morpholin-4-yl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280048

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280002) is N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)Nc1cc(Cl)cc(Cl)c1)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is PDEAGFLEGMCTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-9(16(23)19-13-7-11(17)6-12(18)8-13)21-15(22)5-10-3-2-4-14(10)20-21/h5-9H,2-4H2,1H3,(H,19,23).
What are the key properties of N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 352.22 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).