2-(N-hydroxyanilino)-1-phenylethanone

C14H13NO2 — CID 12025652

IUPAC2-(N-hydroxyanilino)-1-phenylethanone
SMILESO=C(CN(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10,17H,11H2
InChIKeyZYBKPYYXSHIQJH-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.77
Rot. Bonds4

About 2-(N-hydroxyanilino)-1-phenylethanone

2-(N-hydroxyanilino)-1-phenylethanone (PubChem CID 12025652) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(N-hydroxyanilino)-1-phenylethanone.

Molecular Properties

Compound Name2-(N-hydroxyanilino)-1-phenylethanone
PubChem CID12025652
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(N-hydroxyanilino)-1-phenylethanone
SMILESO=C(CN(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10,17H,11H2
InChIKeyZYBKPYYXSHIQJH-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
CID 152595651
1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone
CID 53440375
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
N-methyl-N-phenacylacetamide
CID 15482185
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
ethyl(phenacyl)carbamic acid
CID 70573901
4-oxo-N,N,4-triphenylbutanamide
CID 11695603
4-(dimethylamino)-N-phenacyl-N-phenylbenzamide
CID 5073798
benzene;2-hydroxy-1-phenylethanone
CID 174663024
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide
CID 138760798

Frequently Asked Questions

What is the IUPAC name of 2-(N-hydroxyanilino)-1-phenylethanone?
The IUPAC name of 2-(N-hydroxyanilino)-1-phenylethanone (CID 12025652) is 2-(N-hydroxyanilino)-1-phenylethanone.
What is the SMILES notation for 2-(N-hydroxyanilino)-1-phenylethanone?
The canonical SMILES for 2-(N-hydroxyanilino)-1-phenylethanone is O=C(CN(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-hydroxyanilino)-1-phenylethanone?
The InChIKey is ZYBKPYYXSHIQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10,17H,11H2.
What are the key properties of 2-(N-hydroxyanilino)-1-phenylethanone?
2-(N-hydroxyanilino)-1-phenylethanone has a molecular weight of 227.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-hydroxyanilino)-1-phenylethanone is sourced from PubChem (CID 12025652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).