2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione

C15H12ClNO2 — CID 142644017

IUPAC2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione
SMILESNC(C(=O)c1ccccc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO2/c16-12-8-4-7-11(9-12)15(19)13(17)14(18)10-5-2-1-3-6-10/h1-9,13H,17H2
InChIKeyKEDDRXAIJSBLDS-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.73
Rot. Bonds4

About 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione

2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione (PubChem CID 142644017) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione
PubChem CID142644017
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione
SMILESNC(C(=O)c1ccccc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO2/c16-12-8-4-7-11(9-12)15(19)13(17)14(18)10-5-2-1-3-6-10/h1-9,13H,17H2
InChIKeyKEDDRXAIJSBLDS-UHFFFAOYSA-N
XLogP2.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
3-amino-1-(3-chlorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599007
benzoic acid;3-chlorobenzoic acid
CID 162034638
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
2-(3-chloroanilino)-1,3-diphenylpropane-1,3-dione
CID 123487664
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 157068093
3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776
2-[(3-chlorophenyl)diazenyl]-1,3-diphenylpropane-1,3-dione
CID 12781436
4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid
CID 10357765
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate
CID 132540788

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione?
The IUPAC name of 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione (CID 142644017) is 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione is NC(C(=O)c1ccccc1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione?
The InChIKey is KEDDRXAIJSBLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-8-4-7-11(9-12)15(19)13(17)14(18)10-5-2-1-3-6-10/h1-9,13H,17H2.
What are the key properties of 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione?
2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione has a molecular weight of 273.72 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 142644017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).