N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine

C21H15Cl2N3 — CID 6411759

IUPACN-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1
InChIInChI=1S/C21H15Cl2N3/c1-13-6-8-14(9-7-13)20-16-4-2-3-5-17(16)21(26-25-20)24-15-10-11-18(22)19(23)12-15/h2-12H,1H3,(H,24,26)
InChIKeyLSCYFDLABPHDDS-UHFFFAOYSA-N
MW380.28 g/mol
LogP6.66
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine

N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine (PubChem CID 6411759) has the molecular formula C21H15Cl2N3 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
PubChem CID6411759
Molecular FormulaC21H15Cl2N3
Molecular Weight380.28 g/mol
Exact Mass379.06
IUPAC NameN-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1
InChIInChI=1S/C21H15Cl2N3/c1-13-6-8-14(9-7-13)20-16-4-2-3-5-17(16)21(26-25-20)24-15-10-11-18(22)19(23)12-15/h2-12H,1H3,(H,24,26)
InChIKeyLSCYFDLABPHDDS-UHFFFAOYSA-N
XLogP6.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.28
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

MY 5445
CID 1348
1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthalazine
CID 6419392
5-{4-[(3,4-dichlorophenyl)amino]phthalazin-1-yl}-N,N,2-trimethylbenzenesulfonamide
CID 1390215
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-[(3,4-Dichlorophenyl)amino]phthalazin-1-yl}benzamide
CID 1393513
4-(2-chlorophenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 71533180
4-(3-chlorophenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 71541484
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylphthalazin-1-amine
CID 6400984
N,4-diphenylphthalazin-1-amine
CID 6401346

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine (CID 6411759) is N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine is Cc1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is LSCYFDLABPHDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3/c1-13-6-8-14(9-7-13)20-16-4-2-3-5-17(16)21(26-25-20)24-15-10-11-18(22)19(23)12-15/h2-12H,1H3,(H,24,26).
What are the key properties of N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine?
N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 380.28 g/mol, XLogP of 6.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 6411759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).