2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide

C19H19F2NO2 — CID 154764341

IUPAC2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide
SMILESO=C(CC12CCCCC1C2(F)F)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C19H19F2NO2/c20-19(21)16-7-3-4-10-18(16,19)11-17(24)22-14-8-9-15(23)13-6-2-1-5-12(13)14/h1-2,5-6,8-9,16,23H,3-4,7,10-11H2,(H,22,24)
InChIKeyZQODKKXTWCCXOR-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.70
Rot. Bonds3

About 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide

2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide (PubChem CID 154764341) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide
PubChem CID154764341
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide
SMILESO=C(CC12CCCCC1C2(F)F)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C19H19F2NO2/c20-19(21)16-7-3-4-10-18(16,19)11-17(24)22-14-8-9-15(23)13-6-2-1-5-12(13)14/h1-2,5-6,8-9,16,23H,3-4,7,10-11H2,(H,22,24)
InChIKeyZQODKKXTWCCXOR-UHFFFAOYSA-N
XLogP4.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide?
The IUPAC name of 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide (CID 154764341) is 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide is O=C(CC12CCCCC1C2(F)F)Nc1ccc(O)c2ccccc12.
What is the InChIKey of 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide?
The InChIKey is ZQODKKXTWCCXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-19(21)16-7-3-4-10-18(16,19)11-17(24)22-14-8-9-15(23)13-6-2-1-5-12(13)14/h1-2,5-6,8-9,16,23H,3-4,7,10-11H2,(H,22,24).
What are the key properties of 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide?
2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide has a molecular weight of 331.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 154764341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).