2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide

C16H11F2N3O2 — CID 99842608

IUPAC2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2nncc3ccccc23)cc1)C(F)F
InChIInChI=1S/C16H11F2N3O2/c17-14(18)15(22)20-11-5-7-12(8-6-11)23-16-13-4-2-1-3-10(13)9-19-21-16/h1-9,14H,(H,20,22)
InChIKeyFJSCUPDOHKQVNO-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.63
Rot. Bonds4

About 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide

2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide (PubChem CID 99842608) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide
PubChem CID99842608
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2nncc3ccccc23)cc1)C(F)F
InChIInChI=1S/C16H11F2N3O2/c17-14(18)15(22)20-11-5-7-12(8-6-11)23-16-13-4-2-1-3-10(13)9-19-21-16/h1-9,14H,(H,20,22)
InChIKeyFJSCUPDOHKQVNO-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide (CID 99842608) is 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide is O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide?
The InChIKey is FJSCUPDOHKQVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-14(18)15(22)20-11-5-7-12(8-6-11)23-16-13-4-2-1-3-10(13)9-19-21-16/h1-9,14H,(H,20,22).
What are the key properties of 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide?
2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide has a molecular weight of 315.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-phthalazin-1-yloxyphenyl)acetamide is sourced from PubChem (CID 99842608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).