N-(3-chlorophenyl)-4-phenylphthalazin-1-amine

C20H14ClN3 — CID 1348

IUPACN-(3-chlorophenyl)-4-phenylphthalazin-1-amine
SMILESClc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
InChIKeyCEHQLKSLMFIHBF-UHFFFAOYSA-N
MW331.81 g/mol
LogP5.69
Rot. Bonds3

About N-(3-chlorophenyl)-4-phenylphthalazin-1-amine

N-(3-chlorophenyl)-4-phenylphthalazin-1-amine (PubChem CID 1348) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-phenylphthalazin-1-amine
PubChem CID1348
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC NameN-(3-chlorophenyl)-4-phenylphthalazin-1-amine
SMILESClc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
InChIKeyCEHQLKSLMFIHBF-UHFFFAOYSA-N
XLogP5.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
CID 6416437
4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine
CID 1069155
N-(4-fluorophenyl)-4-methylphthalazin-1-amine
CID 1386569
N-(4-methylphenyl)-4-phenylphthalazin-1-amine
CID 3124067
N-(3-methylphenyl)-4-phenylphthalazin-1-amine
CID 12797778
N-(4-chlorophenyl)-4-[(2,6-dimethylpyridin-4-yl)methyl]phthalazin-1-amine
CID 6326420
4-(4-(3-Chlorophenylamino)phthalazin-1-yl)benzamide
CID 1386118
4-(2-chlorophenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 71533180
4-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)phthalazin-1-amine
CID 71541481
4-(3-chlorophenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 71541484
N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine
CID 71541485
3-[[4-(4-Chlorophenyl)phthalazin-1-yl]amino]benzenesulfonamide
CID 71607915

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-phenylphthalazin-1-amine?
The IUPAC name of N-(3-chlorophenyl)-4-phenylphthalazin-1-amine (CID 1348) is N-(3-chlorophenyl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-phenylphthalazin-1-amine is Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-phenylphthalazin-1-amine?
The InChIKey is CEHQLKSLMFIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-4-phenylphthalazin-1-amine?
N-(3-chlorophenyl)-4-phenylphthalazin-1-amine has a molecular weight of 331.81 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-phenylphthalazin-1-amine is sourced from PubChem (CID 1348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).