1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone

C18H14FNO — CID 116560408

IUPAC1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
SMILESNc1cc2ccccc2cc1C(=O)Cc1ccccc1F
InChIInChI=1S/C18H14FNO/c19-16-8-4-3-7-14(16)11-18(21)15-9-12-5-1-2-6-13(12)10-17(15)20/h1-10H,11,20H2
InChIKeyVPFDJVILXITPDP-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.99
Rot. Bonds3

About 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone

1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 116560408) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
PubChem CID116560408
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
SMILESNc1cc2ccccc2cc1C(=O)Cc1ccccc1F
InChIInChI=1S/C18H14FNO/c19-16-8-4-3-7-14(16)11-18(21)15-9-12-5-1-2-6-13(12)10-17(15)20/h1-10H,11,20H2
InChIKeyVPFDJVILXITPDP-UHFFFAOYSA-N
XLogP3.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone
CID 116560426
1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116560381
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116560365
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
1-(5-fluoro-2-hydroxyphenyl)-2-(2-fluorophenyl)ethanone
CID 53234531
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone
CID 114026768

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone (CID 116560408) is 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone is Nc1cc2ccccc2cc1C(=O)Cc1ccccc1F.
What is the InChIKey of 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is VPFDJVILXITPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c19-16-8-4-3-7-14(16)11-18(21)15-9-12-5-1-2-6-13(12)10-17(15)20/h1-10H,11,20H2.
What are the key properties of 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone?
1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 279.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 116560408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).