N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine

C15H11ClFN3 — CID 62537804

IUPACN-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine
SMILESFc1ccc(CNc2nncc3ccccc23)cc1Cl
InChIInChI=1S/C15H11ClFN3/c16-13-7-10(5-6-14(13)17)8-18-15-12-4-2-1-3-11(12)9-19-20-15/h1-7,9H,8H2,(H,18,20)
InChIKeyMEVXDWMVJXUMAK-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.03
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine

N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine (PubChem CID 62537804) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine
PubChem CID62537804
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine
SMILESFc1ccc(CNc2nncc3ccccc23)cc1Cl
InChIInChI=1S/C15H11ClFN3/c16-13-7-10(5-6-14(13)17)8-18-15-12-4-2-1-3-11(12)9-19-20-15/h1-7,9H,8H2,(H,18,20)
InChIKeyMEVXDWMVJXUMAK-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine (CID 62537804) is N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine is Fc1ccc(CNc2nncc3ccccc23)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine?
The InChIKey is MEVXDWMVJXUMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-13-7-10(5-6-14(13)17)8-18-15-12-4-2-1-3-11(12)9-19-20-15/h1-7,9H,8H2,(H,18,20).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine?
N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine has a molecular weight of 287.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine is sourced from PubChem (CID 62537804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).