1-(1-anilinonaphthalen-2-yl)ethanone

C18H15NO — CID 12580778

IUPAC1-(1-anilinonaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2ccccc2c1Nc1ccccc1
InChIInChI=1S/C18H15NO/c1-13(20)16-12-11-14-7-5-6-10-17(14)18(16)19-15-8-3-2-4-9-15/h2-12,19H,1H3
InChIKeyJEUUTTUVJWOCKS-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.79
Rot. Bonds3

About 1-(1-anilinonaphthalen-2-yl)ethanone

1-(1-anilinonaphthalen-2-yl)ethanone (PubChem CID 12580778) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(1-anilinonaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-anilinonaphthalen-2-yl)ethanone
PubChem CID12580778
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1-(1-anilinonaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2ccccc2c1Nc1ccccc1
InChIInChI=1S/C18H15NO/c1-13(20)16-12-11-14-7-5-6-10-17(14)18(16)19-15-8-3-2-4-9-15/h2-12,19H,1H3
InChIKeyJEUUTTUVJWOCKS-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetylnaphthalen-1-yl)acetic acid
CID 69135276
1-anilinonaphthalene-2-sulfonic acid
CID 14694055
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
1-(methanesulfonamido)naphthalene-2-carboxylic acid
CID 151146757
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325
acetic acid;chrysene
CID 175201446
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
CID 143253129
1-formamidonaphthalene-2-carboxylic acid
CID 174958929
1-(1-nitronaphthalen-2-yl)ethanone
CID 167328369

Frequently Asked Questions

What is the IUPAC name of 1-(1-anilinonaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1-anilinonaphthalen-2-yl)ethanone (CID 12580778) is 1-(1-anilinonaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1-anilinonaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1-anilinonaphthalen-2-yl)ethanone is CC(=O)c1ccc2ccccc2c1Nc1ccccc1.
What is the InChIKey of 1-(1-anilinonaphthalen-2-yl)ethanone?
The InChIKey is JEUUTTUVJWOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-13(20)16-12-11-14-7-5-6-10-17(14)18(16)19-15-8-3-2-4-9-15/h2-12,19H,1H3.
What are the key properties of 1-(1-anilinonaphthalen-2-yl)ethanone?
1-(1-anilinonaphthalen-2-yl)ethanone has a molecular weight of 261.32 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-anilinonaphthalen-2-yl)ethanone is sourced from PubChem (CID 12580778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).