N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide

C12H11F2NO2 — CID 22449548

IUPACN-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cc(F)c(F)c2c1CCCC2=O
InChIInChI=1S/C12H11F2NO2/c1-6(16)15-9-5-8(13)12(14)11-7(9)3-2-4-10(11)17/h5H,2-4H2,1H3,(H,15,16)
InChIKeyKIDSXKOGRJNVOA-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.44
Rot. Bonds1

About N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide

N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide (PubChem CID 22449548) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
PubChem CID22449548
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC NameN-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cc(F)c(F)c2c1CCCC2=O
InChIInChI=1S/C12H11F2NO2/c1-6(16)15-9-5-8(13)12(14)11-7(9)3-2-4-10(11)17/h5H,2-4H2,1H3,(H,15,16)
InChIKeyKIDSXKOGRJNVOA-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(3,4-difluoro-2-methylphenyl)acetamide
CID 15692403
methyl 4-acetamido-2,3,6-trifluorobenzoate
CID 162354663
8-amino-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 155183611
N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide
CID 167472509
N-(3-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 130012074
N-[3-fluoro-7,7-bis(hydroxymethyl)-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide
CID 170751898
8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 155895211
N-(2,3,5-trifluoro-4-phenylphenyl)acetamide
CID 102132684
5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one
CID 171787843
N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
CID 51106132
N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 176899530

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide?
The IUPAC name of N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide (CID 22449548) is N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide.
What is the SMILES notation for N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide?
The canonical SMILES for N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide is CC(=O)Nc1cc(F)c(F)c2c1CCCC2=O.
What is the InChIKey of N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide?
The InChIKey is KIDSXKOGRJNVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-6(16)15-9-5-8(13)12(14)11-7(9)3-2-4-10(11)17/h5H,2-4H2,1H3,(H,15,16).
What are the key properties of N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide?
N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide has a molecular weight of 239.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide is sourced from PubChem (CID 22449548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).