N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide

C14H13F2NO3 — CID 22449504

IUPACN-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(F)c2c1C(=O)C(F)CC2
InChIInChI=1S/C14H13F2NO3/c1-7(18)17(8(2)19)12-6-5-10(15)9-3-4-11(16)14(20)13(9)12/h5-6,11H,3-4H2,1-2H3
InChIKeyDJOONDYWOWWGQJ-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.19
Rot. Bonds1

About N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide

N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide (PubChem CID 22449504) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide
PubChem CID22449504
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC NameN-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(F)c2c1C(=O)C(F)CC2
InChIInChI=1S/C14H13F2NO3/c1-7(18)17(8(2)19)12-6-5-10(15)9-3-4-11(16)14(20)13(9)12/h5-6,11H,3-4H2,1-2H3
InChIKeyDJOONDYWOWWGQJ-UHFFFAOYSA-N
XLogP2.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide?
The IUPAC name of N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide (CID 22449504) is N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide?
The canonical SMILES for N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide is CC(=O)N(C(C)=O)c1ccc(F)c2c1C(=O)C(F)CC2.
What is the InChIKey of N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide?
The InChIKey is DJOONDYWOWWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-7(18)17(8(2)19)12-6-5-10(15)9-3-4-11(16)14(20)13(9)12/h5-6,11H,3-4H2,1-2H3.
What are the key properties of N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide?
N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide has a molecular weight of 281.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide is sourced from PubChem (CID 22449504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).