4-(4-chlorophenyl)-2-methyl-1H-phthalazine

C15H13ClN2 — CID 4124637

IUPAC4-(4-chlorophenyl)-2-methyl-1H-phthalazine
SMILESCN1Cc2ccccc2C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C15H13ClN2/c1-18-10-12-4-2-3-5-14(12)15(17-18)11-6-8-13(16)9-7-11/h2-9H,10H2,1H3
InChIKeyUJZBEVAMULPBFA-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.54
Rot. Bonds1

About 4-(4-chlorophenyl)-2-methyl-1H-phthalazine

4-(4-chlorophenyl)-2-methyl-1H-phthalazine (PubChem CID 4124637) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-1H-phthalazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-1H-phthalazine
PubChem CID4124637
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name4-(4-chlorophenyl)-2-methyl-1H-phthalazine
SMILESCN1Cc2ccccc2C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C15H13ClN2/c1-18-10-12-4-2-3-5-14(12)15(17-18)11-6-8-13(16)9-7-11/h2-9H,10H2,1H3
InChIKeyUJZBEVAMULPBFA-UHFFFAOYSA-N
XLogP3.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Chlorobenzyl)-N-(2-methylbenzylidene)-1-piperazinamine
CID 5347766
N,N-Dibenzyl-N''-[1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazine
CID 9690663
3-(4-chlorophenyl)-1-ethyl-4-phenyl-4,5-dihydro-1H-pyrazole
CID 11842292
3-(3-Chlorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164427
3-(4-chlorophenyl)-1-methyl-4-phenyl-4,5-dihydro-1H-pyrazole
CID 11842294
{2-[5-(4-Chloro-phenyl)-1-methyl-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl]-ethyl}-diethyl-amine
CID 10474282
3-(4-Chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole
CID 2738084
3-(2-Chlorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164426
3-(4-Chlorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164428
3-Isoquinolineethanamine, 3,4-dihydro-1-(4-chlorophenyl)-N,N-dimethyl-, hydrochloride, hydrate (1:2:1)
CID 3068637
N'-(2-Chloro-benzylidene)-N-methyl-N-naphthalen-1-ylmethyl-hydrazine
CID 9579140
N'-(4-Chloro-benzylidene)-N-methyl-N-naphthalen-1-ylmethyl-hydrazine
CID 9579141

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-1H-phthalazine?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-1H-phthalazine (CID 4124637) is 4-(4-chlorophenyl)-2-methyl-1H-phthalazine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-1H-phthalazine?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-1H-phthalazine is CN1Cc2ccccc2C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-1H-phthalazine?
The InChIKey is UJZBEVAMULPBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-18-10-12-4-2-3-5-14(12)15(17-18)11-6-8-13(16)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-methyl-1H-phthalazine?
4-(4-chlorophenyl)-2-methyl-1H-phthalazine has a molecular weight of 256.74 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-1H-phthalazine is sourced from PubChem (CID 4124637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).