4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine

C16H13ClN2 — CID 89047235

IUPAC4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine
SMILESC=C1NN=C(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H13ClN2/c1-11-14-4-2-3-5-15(14)16(19-18-11)10-12-6-8-13(17)9-7-12/h2-9,18H,1,10H2
InChIKeyOXBHROOFROYTGQ-UHFFFAOYSA-N
MW268.75 g/mol
LogP3.86
Rot. Bonds2

About 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine

4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine (PubChem CID 89047235) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine
PubChem CID89047235
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine
SMILESC=C1NN=C(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H13ClN2/c1-11-14-4-2-3-5-15(14)16(19-18-11)10-12-6-8-13(17)9-7-12/h2-9,18H,1,10H2
InChIKeyOXBHROOFROYTGQ-UHFFFAOYSA-N
XLogP3.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-3-[(4-chlorophenyl)methyl]-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
CID 135724294
1-(4-chloroanilino)-4-(pyridin-4-ylmethyl)-2H-phthalazin-1-ol
CID 71422198
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 61270125
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
1-chloro-4-[(2-ethenylphenyl)methyl]benzene
CID 21218414
6-[(4-chlorophenyl)methyl]pyridin-2-amine
CID 151591234
4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol
CID 139609307
1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259
(4-chlorophenyl)methylphosphane
CID 21076076
[4-[(4-chlorophenyl)methyl]phenyl]methanol
CID 22408254
2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene
CID 174900515

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine (CID 89047235) is 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine is C=C1NN=C(Cc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine?
The InChIKey is OXBHROOFROYTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-11-14-4-2-3-5-15(14)16(19-18-11)10-12-6-8-13(17)9-7-12/h2-9,18H,1,10H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine?
4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine has a molecular weight of 268.75 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-methylidene-2H-phthalazine is sourced from PubChem (CID 89047235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).