4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine

C16H13ClFN3 — CID 62142318

IUPAC4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine
SMILESCC(Nc1nnc(Cl)c2ccccc12)c1ccccc1F
InChIInChI=1S/C16H13ClFN3/c1-10(11-6-4-5-9-14(11)18)19-16-13-8-3-2-7-12(13)15(17)20-21-16/h2-10H,1H3,(H,19,21)
InChIKeyVEPLCGJMLXWGAB-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.60
Rot. Bonds3

About 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine

4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine (PubChem CID 62142318) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine
PubChem CID62142318
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine
SMILESCC(Nc1nnc(Cl)c2ccccc12)c1ccccc1F
InChIInChI=1S/C16H13ClFN3/c1-10(11-6-4-5-9-14(11)18)19-16-13-8-3-2-7-12(13)15(17)20-21-16/h2-10H,1H3,(H,19,21)
InChIKeyVEPLCGJMLXWGAB-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine?
The IUPAC name of 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine (CID 62142318) is 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine is CC(Nc1nnc(Cl)c2ccccc12)c1ccccc1F.
What is the InChIKey of 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine?
The InChIKey is VEPLCGJMLXWGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-10(11-6-4-5-9-14(11)18)19-16-13-8-3-2-7-12(13)15(17)20-21-16/h2-10H,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine?
4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine has a molecular weight of 301.75 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine is sourced from PubChem (CID 62142318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).