1-chloro-4-phenyl-2,3-dihydrophthalazine

C14H11ClN2 — CID 118601774

IUPAC1-chloro-4-phenyl-2,3-dihydrophthalazine
SMILESClC1=c2ccccc2=C(c2ccccc2)NN1
InChIInChI=1S/C14H11ClN2/c15-14-12-9-5-4-8-11(12)13(16-17-14)10-6-2-1-3-7-10/h1-9,16-17H
InChIKeyGZPRFLTYQMXMHZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.26
Rot. Bonds1

About 1-chloro-4-phenyl-2,3-dihydrophthalazine

1-chloro-4-phenyl-2,3-dihydrophthalazine (PubChem CID 118601774) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-chloro-4-phenyl-2,3-dihydrophthalazine.

Molecular Properties

Compound Name1-chloro-4-phenyl-2,3-dihydrophthalazine
PubChem CID118601774
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name1-chloro-4-phenyl-2,3-dihydrophthalazine
SMILESClC1=c2ccccc2=C(c2ccccc2)NN1
InChIInChI=1S/C14H11ClN2/c15-14-12-9-5-4-8-11(12)13(16-17-14)10-6-2-1-3-7-10/h1-9,16-17H
InChIKeyGZPRFLTYQMXMHZ-UHFFFAOYSA-N
XLogP1.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-chloro-4-phenyl-2,3-dihydrophthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-diphenyl-2,3-dihydro-1H-triazole
CID 163692721
beryllium;1,1'-biphenyl;hydride
CID 173156439
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
ethane;trimethyl(phenyl)boranuide
CID 91180223
1,1'-biphenyl;thionyl dichloride
CID 88653349
methanamine;tetraphenylboranuide
CID 175835863
2-chloro-1-methyl-3-phenyl-1H-indene
CID 13149961
CID 53446764
CID 53446764

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-phenyl-2,3-dihydrophthalazine?
The IUPAC name of 1-chloro-4-phenyl-2,3-dihydrophthalazine (CID 118601774) is 1-chloro-4-phenyl-2,3-dihydrophthalazine.
What is the SMILES notation for 1-chloro-4-phenyl-2,3-dihydrophthalazine?
The canonical SMILES for 1-chloro-4-phenyl-2,3-dihydrophthalazine is ClC1=c2ccccc2=C(c2ccccc2)NN1.
What is the InChIKey of 1-chloro-4-phenyl-2,3-dihydrophthalazine?
The InChIKey is GZPRFLTYQMXMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-14-12-9-5-4-8-11(12)13(16-17-14)10-6-2-1-3-7-10/h1-9,16-17H.
What are the key properties of 1-chloro-4-phenyl-2,3-dihydrophthalazine?
1-chloro-4-phenyl-2,3-dihydrophthalazine has a molecular weight of 242.71 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-phenyl-2,3-dihydrophthalazine is sourced from PubChem (CID 118601774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).