N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide

C16H11F2N3O2 — CID 2557681

IUPACN-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2N3O2/c17-13-6-5-11(7-14(13)18)20-15(22)9-23-16-12-4-2-1-3-10(12)8-19-21-16/h1-8H,9H2,(H,20,22)
InChIKeyHEUBITJBDDKWCB-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.93
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide

N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide (PubChem CID 2557681) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide
PubChem CID2557681
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC NameN-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2N3O2/c17-13-6-5-11(7-14(13)18)20-15(22)9-23-16-12-4-2-1-3-10(12)8-19-21-16/h1-8H,9H2,(H,20,22)
InChIKeyHEUBITJBDDKWCB-UHFFFAOYSA-N
XLogP2.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide (CID 2557681) is N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide is O=C(COc1nncc2ccccc12)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide?
The InChIKey is HEUBITJBDDKWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-13-6-5-11(7-14(13)18)20-15(22)9-23-16-12-4-2-1-3-10(12)8-19-21-16/h1-8H,9H2,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide?
N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide has a molecular weight of 315.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 2557681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).