3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one

C15H14ClNO2 — CID 15639390

IUPAC3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
SMILESO=C(CC(NO)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-6-11(7-9-13)14(17-19)10-15(18)12-4-2-1-3-5-12/h1-9,14,17,19H,10H2
InChIKeyAVVUPOWVKLLOJP-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.63
Rot. Bonds5

About 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one

3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one (PubChem CID 15639390) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
PubChem CID15639390
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
SMILESO=C(CC(NO)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-6-11(7-9-13)14(17-19)10-15(18)12-4-2-1-3-5-12/h1-9,14,17,19H,10H2
InChIKeyAVVUPOWVKLLOJP-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102020553
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592096
2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioic acid
CID 67292277
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
CID 6987093
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
1-(4-chlorophenyl)-3-oxo-3-phenylpropane-1-sulfonic acid
CID 58077556
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
(3R)-3-(4-chlorophenyl)-3-(3-nitroanilino)-1-phenylpropan-1-one
CID 2222825
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one (CID 15639390) is 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one is O=C(CC(NO)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one?
The InChIKey is AVVUPOWVKLLOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-8-6-11(7-9-13)14(17-19)10-15(18)12-4-2-1-3-5-12/h1-9,14,17,19H,10H2.
What are the key properties of 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one?
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one has a molecular weight of 275.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one is sourced from PubChem (CID 15639390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).