1-(4-chlorophenyl)-1,2-dihydrophthalazine

C14H11ClN2 — CID 23299765

IUPAC1-(4-chlorophenyl)-1,2-dihydrophthalazine
SMILESClc1ccc(C2NN=Cc3ccccc32)cc1
InChIInChI=1S/C14H11ClN2/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-17-14/h1-9,14,17H
InChIKeyUYRLKLOFVDOGCR-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.37
Rot. Bonds1

About 1-(4-chlorophenyl)-1,2-dihydrophthalazine

1-(4-chlorophenyl)-1,2-dihydrophthalazine (PubChem CID 23299765) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1,2-dihydrophthalazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1,2-dihydrophthalazine
PubChem CID23299765
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name1-(4-chlorophenyl)-1,2-dihydrophthalazine
SMILESClc1ccc(C2NN=Cc3ccccc32)cc1
InChIInChI=1S/C14H11ClN2/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-17-14/h1-9,14,17H
InChIKeyUYRLKLOFVDOGCR-UHFFFAOYSA-N
XLogP3.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1,2-dihydrophthalazine?
The IUPAC name of 1-(4-chlorophenyl)-1,2-dihydrophthalazine (CID 23299765) is 1-(4-chlorophenyl)-1,2-dihydrophthalazine.
What is the SMILES notation for 1-(4-chlorophenyl)-1,2-dihydrophthalazine?
The canonical SMILES for 1-(4-chlorophenyl)-1,2-dihydrophthalazine is Clc1ccc(C2NN=Cc3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1,2-dihydrophthalazine?
The InChIKey is UYRLKLOFVDOGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-17-14/h1-9,14,17H.
What are the key properties of 1-(4-chlorophenyl)-1,2-dihydrophthalazine?
1-(4-chlorophenyl)-1,2-dihydrophthalazine has a molecular weight of 242.71 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1,2-dihydrophthalazine is sourced from PubChem (CID 23299765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).