(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone

C17H12FNO — CID 82685979

IUPAC(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
SMILESNc1ccc(F)cc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H12FNO/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,19H2
InChIKeyVWZXFALWNPNQJM-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.79
Rot. Bonds2

About (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone

(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone (PubChem CID 82685979) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
PubChem CID82685979
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
SMILESNc1ccc(F)cc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H12FNO/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,19H2
InChIKeyVWZXFALWNPNQJM-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-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
dinaphthalen-2-ylmethanone
CID 10945915
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
CID 114970378
(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone
CID 116505707
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 107129703
[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone
CID 105489015
(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
CID 114970356

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone?
The IUPAC name of (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone (CID 82685979) is (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone is Nc1ccc(F)cc1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone?
The InChIKey is VWZXFALWNPNQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,19H2.
What are the key properties of (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone?
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone 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 (2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 82685979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).