2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

C15H15F2NO2 — CID 57381112

IUPAC2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(=O)C(F)F)c2c1
InChIInChI=1S/C15H15F2NO2/c1-20-12-6-5-10-3-2-4-11(13(10)9-12)7-8-18-15(19)14(16)17/h2-6,9,14H,7-8H2,1H3,(H,18,19)
InChIKeyUTLRQLQDJLNKNY-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.77
Rot. Bonds5

About 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 57381112) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID57381112
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(=O)C(F)F)c2c1
InChIInChI=1S/C15H15F2NO2/c1-20-12-6-5-10-3-2-4-11(13(10)9-12)7-8-18-15(19)14(16)17/h2-6,9,14H,7-8H2,1H3,(H,18,19)
InChIKeyUTLRQLQDJLNKNY-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 57381112) is 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cccc(CCNC(=O)C(F)F)c2c1.
What is the InChIKey of 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is UTLRQLQDJLNKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-20-12-6-5-10-3-2-4-11(13(10)9-12)7-8-18-15(19)14(16)17/h2-6,9,14H,7-8H2,1H3,(H,18,19).
What are the key properties of 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 279.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 57381112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).