(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone

C17H12FNO — CID 116560369

IUPAC(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
SMILESNc1cc2ccccc2cc1C(=O)c1ccccc1F
InChIInChI=1S/C17H12FNO/c18-15-8-4-3-7-13(15)17(20)14-9-11-5-1-2-6-12(11)10-16(14)19/h1-10H,19H2
InChIKeyMINRIYJLFCPTSS-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.79
Rot. Bonds2

About (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone

(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone (PubChem CID 116560369) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
PubChem CID116560369
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
SMILESNc1cc2ccccc2cc1C(=O)c1ccccc1F
InChIInChI=1S/C17H12FNO/c18-15-8-4-3-7-13(15)17(20)14-9-11-5-1-2-6-12(11)10-16(14)19/h1-10H,19H2
InChIKeyMINRIYJLFCPTSS-UHFFFAOYSA-N
XLogP3.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,5-diaminophenyl)-(2-fluorophenyl)methanone
CID 526486
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
CID 116560408
(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 107129703
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
2-bromo-N-[3-(2-fluorobenzoyl)naphthalen-2-yl]acetamide
CID 10068697
3-aminonaphthalene-2-carboxylic acid;2-aminophenol
CID 70253248
(3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone
CID 20520026
(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone
CID 141317556
3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
CID 114266969
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
1-benzothiophen-7-yl-(2-fluorophenyl)methanone
CID 81152936

Frequently Asked Questions

What is the IUPAC name of (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone (CID 116560369) is (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone is Nc1cc2ccccc2cc1C(=O)c1ccccc1F.
What is the InChIKey of (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone?
The InChIKey is MINRIYJLFCPTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c18-15-8-4-3-7-13(15)17(20)14-9-11-5-1-2-6-12(11)10-16(14)19/h1-10H,19H2.
What are the key properties of (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone?
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone has a molecular weight of 265.29 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 116560369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).