2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide

C13H15FN2O2 — CID 175980560

IUPAC2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
SMILESCc1c(F)cc(N)c2c1CCC(CC(N)=O)C2=O
InChIInChI=1S/C13H15FN2O2/c1-6-8-3-2-7(4-11(16)17)13(18)12(8)10(15)5-9(6)14/h5,7H,2-4,15H2,1H3,(H2,16,17)
InChIKeyANACDNIQHCYEDW-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.34
Rot. Bonds2

About 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide

2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide (PubChem CID 175980560) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
PubChem CID175980560
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
SMILESCc1c(F)cc(N)c2c1CCC(CC(N)=O)C2=O
InChIInChI=1S/C13H15FN2O2/c1-6-8-3-2-7(4-11(16)17)13(18)12(8)10(15)5-9(6)14/h5,7H,2-4,15H2,1H3,(H2,16,17)
InChIKeyANACDNIQHCYEDW-UHFFFAOYSA-N
XLogP1.34
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 176688386
8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 155895211
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
N-(5-amino-7-fluoro-8-methyl-1,1,4-trioxo-2,3-dihydrothiochromen-3-yl)acetamide
CID 170345405
8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 10798628
(1R)-4-fluoro-5-methyl-2,3-dihydro-1H-indene-1,6-diamine
CID 55274698
2-[1-[(2E)-2-(8-amino-6-fluoro-2,5-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3-(methoxymethyl)-6-methyl-2-oxo-4-pyridinyl]butanal
CID 176978169
(4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine
CID 166689219
5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one
CID 170345383
2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide
CID 59856266
3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 54924427

Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The IUPAC name of 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide (CID 175980560) is 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide.
What is the SMILES notation for 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The canonical SMILES for 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide is Cc1c(F)cc(N)c2c1CCC(CC(N)=O)C2=O.
What is the InChIKey of 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The InChIKey is ANACDNIQHCYEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-6-8-3-2-7(4-11(16)17)13(18)12(8)10(15)5-9(6)14/h5,7H,2-4,15H2,1H3,(H2,16,17).
What are the key properties of 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide has a molecular weight of 250.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide is sourced from PubChem (CID 175980560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).