8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one

C17H17FN2O — CID 176688386

IUPAC8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1c(F)cc(N)c2c1CCC(Nc1ccccc1)C2=O
InChIInChI=1S/C17H17FN2O/c1-10-12-7-8-15(20-11-5-3-2-4-6-11)17(21)16(12)14(19)9-13(10)18/h2-6,9,15,20H,7-8,19H2,1H3
InChIKeyQCLRBGHTVQTQEA-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.33
Rot. Bonds2

About 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one

8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 176688386) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID176688386
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1c(F)cc(N)c2c1CCC(Nc1ccccc1)C2=O
InChIInChI=1S/C17H17FN2O/c1-10-12-7-8-15(20-11-5-3-2-4-6-11)17(21)16(12)14(19)9-13(10)18/h2-6,9,15,20H,7-8,19H2,1H3
InChIKeyQCLRBGHTVQTQEA-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.33
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

2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 175980560
8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 155895211
5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one
CID 170345383
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
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 83065262
4-fluoro-N-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83067325
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 79489715
3-(3-fluoro-4-methylanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313107
8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 10798628
3-anilinooxan-4-one
CID 175322067

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 176688386) is 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one is Cc1c(F)cc(N)c2c1CCC(Nc1ccccc1)C2=O.
What is the InChIKey of 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QCLRBGHTVQTQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10-12-7-8-15(20-11-5-3-2-4-6-11)17(21)16(12)14(19)9-13(10)18/h2-6,9,15,20H,7-8,19H2,1H3.
What are the key properties of 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one?
8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 284.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-anilino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 176688386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).