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

C18H14BrNO — CID 116560426

IUPAC1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone
SMILESNc1cc2ccccc2cc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C18H14BrNO/c19-15-7-3-4-12(8-15)9-18(21)16-10-13-5-1-2-6-14(13)11-17(16)20/h1-8,10-11H,9,20H2
InChIKeyOMEGOKMSIBZPRC-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.61
Rot. Bonds3

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

1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone (PubChem CID 116560426) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone
PubChem CID116560426
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone
SMILESNc1cc2ccccc2cc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C18H14BrNO/c19-15-7-3-4-12(8-15)9-18(21)16-10-13-5-1-2-6-14(13)11-17(16)20/h1-8,10-11H,9,20H2
InChIKeyOMEGOKMSIBZPRC-UHFFFAOYSA-N
XLogP4.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.61
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

1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
CID 82704146
1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
CID 116577493
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
CID 116560408
2-(3-bromophenyl)acetamide
CID 11736027
2-(3-bromophenyl)acetate
CID 3608673
1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
CID 63409309
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone?
The IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone (CID 116560426) is 1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone.
What is the SMILES notation for 1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone?
The canonical SMILES for 1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone is Nc1cc2ccccc2cc1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone?
The InChIKey is OMEGOKMSIBZPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c19-15-7-3-4-12(8-15)9-18(21)16-10-13-5-1-2-6-14(13)11-17(16)20/h1-8,10-11H,9,20H2.
What are the key properties of 1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone?
1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone has a molecular weight of 340.22 g/mol, XLogP of 4.61, 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-(3-bromophenyl)ethanone is sourced from PubChem (CID 116560426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).