N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine

C15H10BrClN4 — CID 1385516

IUPACN-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
SMILESClc1nnc(NN=Cc2ccccc2Br)c2ccccc12
InChIInChI=1S/C15H10BrClN4/c16-13-8-4-1-5-10(13)9-18-20-15-12-7-3-2-6-11(12)14(17)19-21-15/h1-9H,(H,20,21)
InChIKeyJFTDEIWIWOAZIM-UHFFFAOYSA-N
MW361.63 g/mol
LogP4.49
Rot. Bonds3

About N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine

N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine (PubChem CID 1385516) has the molecular formula C15H10BrClN4 and a molecular weight of 361.63 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
PubChem CID1385516
Molecular FormulaC15H10BrClN4
Molecular Weight361.63 g/mol
Exact Mass359.98
IUPAC NameN-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
SMILESClc1nnc(NN=Cc2ccccc2Br)c2ccccc12
InChIInChI=1S/C15H10BrClN4/c16-13-8-4-1-5-10(13)9-18-20-15-12-7-3-2-6-11(12)14(17)19-21-15/h1-9H,(H,20,21)
InChIKeyJFTDEIWIWOAZIM-UHFFFAOYSA-N
XLogP4.49
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine?
The IUPAC name of N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine (CID 1385516) is N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine is Clc1nnc(NN=Cc2ccccc2Br)c2ccccc12.
What is the InChIKey of N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine?
The InChIKey is JFTDEIWIWOAZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN4/c16-13-8-4-1-5-10(13)9-18-20-15-12-7-3-2-6-11(12)14(17)19-21-15/h1-9H,(H,20,21).
What are the key properties of N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine?
N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine has a molecular weight of 361.63 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine is sourced from PubChem (CID 1385516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).