N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide

C15H17FN2O4 — CID 176899530

IUPACN-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
SMILESCOc1c(F)cc(NC(C)=O)c2c1CCC(NC(C)=O)C2=O
InChIInChI=1S/C15H17FN2O4/c1-7(19)17-11-5-4-9-13(14(11)21)12(18-8(2)20)6-10(16)15(9)22-3/h6,11H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFFBMKNPYJGRDKX-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.43
Rot. Bonds3

About N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide

N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide (PubChem CID 176899530) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
PubChem CID176899530
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC NameN-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
SMILESCOc1c(F)cc(NC(C)=O)c2c1CCC(NC(C)=O)C2=O
InChIInChI=1S/C15H17FN2O4/c1-7(19)17-11-5-4-9-13(14(11)21)12(18-8(2)20)6-10(16)15(9)22-3/h6,11H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFFBMKNPYJGRDKX-UHFFFAOYSA-N
XLogP1.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide
CID 169359621
propyl N-[(2S)-8-acetamido-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]carbamate
CID 170267826
9H-fluoren-9-yl N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N-methylcarbamate
CID 170943063
N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 176899539
N-(5-amino-7-fluoro-8-methoxy-4-oxo-2,3-dihydrothiochromen-3-yl)acetamide
CID 170345357
N-[(7E)-3-fluoro-8-hydroxy-7-hydroxyimino-4-methoxy-6,8-dihydro-5H-naphthalen-1-yl]acetamide
CID 178064046
N-[(7S)-4-fluoro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 50943468
N-[(7S)-4-fluoro-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 162662768
7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one
CID 138109935
methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 19352269
N-[(7S)-4-iodo-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 53248963
N-(1-acetyl-7,8-dimethoxy-4-oxo-2,3-dihydroquinolin-5-yl)acetamide
CID 11781721

Frequently Asked Questions

What is the IUPAC name of N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The IUPAC name of N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide (CID 176899530) is N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide.
What is the SMILES notation for N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The canonical SMILES for N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide is COc1c(F)cc(NC(C)=O)c2c1CCC(NC(C)=O)C2=O.
What is the InChIKey of N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The InChIKey is FFBMKNPYJGRDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-7(19)17-11-5-4-9-13(14(11)21)12(18-8(2)20)6-10(16)15(9)22-3/h6,11H,4-5H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide has a molecular weight of 308.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide is sourced from PubChem (CID 176899530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).