N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine

C17H14F2N4O2 — CID 6815292

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine
SMILESCOc1cc(C=NNc2nncc3ccccc23)ccc1OC(F)F
InChIInChI=1S/C17H14F2N4O2/c1-24-15-8-11(6-7-14(15)25-17(18)19)9-20-22-16-13-5-3-2-4-12(13)10-21-23-16/h2-10,17H,1H3,(H,22,23)
InChIKeyRSKZOFPSKLSTEJ-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.69
Rot. Bonds6

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine (PubChem CID 6815292) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine
PubChem CID6815292
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine
SMILESCOc1cc(C=NNc2nncc3ccccc23)ccc1OC(F)F
InChIInChI=1S/C17H14F2N4O2/c1-24-15-8-11(6-7-14(15)25-17(18)19)9-20-22-16-13-5-3-2-4-12(13)10-21-23-16/h2-10,17H,1H3,(H,22,23)
InChIKeyRSKZOFPSKLSTEJ-UHFFFAOYSA-N
XLogP3.69
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine (CID 6815292) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine is COc1cc(C=NNc2nncc3ccccc23)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine?
The InChIKey is RSKZOFPSKLSTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-24-15-8-11(6-7-14(15)25-17(18)19)9-20-22-16-13-5-3-2-4-12(13)10-21-23-16/h2-10,17H,1H3,(H,22,23).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine has a molecular weight of 344.32 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6815292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).