4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide

C18H16Cl2N4O — CID 10959729

IUPAC4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide
SMILESNc1ccc(C2=NN(C(=O)NC3CC3)Cc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C18H16Cl2N4O/c19-15-7-11-9-24(18(25)22-13-5-6-13)23-17(14(11)8-16(15)20)10-1-3-12(21)4-2-10/h1-4,7-8,13H,5-6,9,21H2,(H,22,25)
InChIKeyOJXGUEDZONKGLZ-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.02
Rot. Bonds2

About 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide

4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide (PubChem CID 10959729) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide
PubChem CID10959729
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide
SMILESNc1ccc(C2=NN(C(=O)NC3CC3)Cc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C18H16Cl2N4O/c19-15-7-11-9-24(18(25)22-13-5-6-13)23-17(14(11)8-16(15)20)10-1-3-12(21)4-2-10/h1-4,7-8,13H,5-6,9,21H2,(H,22,25)
InChIKeyOJXGUEDZONKGLZ-UHFFFAOYSA-N
XLogP4.02
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide?
The IUPAC name of 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide (CID 10959729) is 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide is Nc1ccc(C2=NN(C(=O)NC3CC3)Cc3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide?
The InChIKey is OJXGUEDZONKGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c19-15-7-11-9-24(18(25)22-13-5-6-13)23-17(14(11)8-16(15)20)10-1-3-12(21)4-2-10/h1-4,7-8,13H,5-6,9,21H2,(H,22,25).
What are the key properties of 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide?
4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-6,7-dichloro-N-cyclopropyl-1H-phthalazine-2-carboxamide is sourced from PubChem (CID 10959729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).