N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C16H16BrN3O2 — CID 122279989

IUPACN-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H16BrN3O2/c1-10(16(22)18-13-7-5-12(17)6-8-13)20-15(21)9-11-3-2-4-14(11)19-20/h5-10H,2-4H2,1H3,(H,18,22)
InChIKeyMWTIOUBGPMIBKG-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.69
Rot. Bonds3

About N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122279989) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122279989
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC NameN-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H16BrN3O2/c1-10(16(22)18-13-7-5-12(17)6-8-13)20-15(21)9-11-3-2-4-14(11)19-20/h5-10H,2-4H2,1H3,(H,18,22)
InChIKeyMWTIOUBGPMIBKG-UHFFFAOYSA-N
XLogP2.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122279989) is N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)Nc1ccc(Br)cc1)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is MWTIOUBGPMIBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-10(16(22)18-13-7-5-12(17)6-8-13)20-15(21)9-11-3-2-4-14(11)19-20/h5-10H,2-4H2,1H3,(H,18,22).
What are the key properties of N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 362.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122279989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).