1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one

C15H13Cl2NO — CID 116549406

IUPAC1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESNc1ccc(CC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO/c16-14-6-3-11(9-15(14)17)8-13(19)7-10-1-4-12(18)5-2-10/h1-6,9H,7-8,18H2
InChIKeyFIXKQYGYUSJOPX-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one

1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one (PubChem CID 116549406) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
PubChem CID116549406
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESNc1ccc(CC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO/c16-14-6-3-11(9-15(14)17)8-13(19)7-10-1-4-12(18)5-2-10/h1-6,9H,7-8,18H2
InChIKeyFIXKQYGYUSJOPX-UHFFFAOYSA-N
XLogP3.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61321314
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
CID 116595878
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622132
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862
1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172334
1-(3,4-dichlorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62621958
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
ethyl 5-(3,4-dichlorophenyl)-4-oxopentanoate
CID 63901312
1-(3,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62619888

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The IUPAC name of 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one (CID 116549406) is 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one is Nc1ccc(CC(=O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The InChIKey is FIXKQYGYUSJOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-14-6-3-11(9-15(14)17)8-13(19)7-10-1-4-12(18)5-2-10/h1-6,9H,7-8,18H2.
What are the key properties of 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one has a molecular weight of 294.18 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one is sourced from PubChem (CID 116549406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).