2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone

C18H19Cl2NO2 — CID 71376762

IUPAC2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone
SMILESCCN(CC)c1ccc(C(=O)C(O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-21(4-2)14-8-5-12(6-9-14)17(22)18(23)15-10-7-13(19)11-16(15)20/h5-11,18,23H,3-4H2,1-2H3
InChIKeyWNQNAQDANDMJJH-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.76
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone

2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone (PubChem CID 71376762) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone
PubChem CID71376762
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone
SMILESCCN(CC)c1ccc(C(=O)C(O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-21(4-2)14-8-5-12(6-9-14)17(22)18(23)15-10-7-13(19)11-16(15)20/h5-11,18,23H,3-4H2,1-2H3
InChIKeyWNQNAQDANDMJJH-UHFFFAOYSA-N
XLogP4.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
3-[(S)-(2,4-dichlorophenyl)-hydroxymethyl]but-3-en-2-one
CID 102374717
2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 109010434
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
1-(4-chloro-N-ethylanilino)propan-2-ol
CID 174579431
1-(4-chlorophenyl)-2-hydroxypentan-1-one
CID 103453897
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide
CID 101435730
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
3-amino-1-(4-chloro-N-methylanilino)-4-(2,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 57124803

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone (CID 71376762) is 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone is CCN(CC)c1ccc(C(=O)C(O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone?
The InChIKey is WNQNAQDANDMJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-21(4-2)14-8-5-12(6-9-14)17(22)18(23)15-10-7-13(19)11-16(15)20/h5-11,18,23H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone?
2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone has a molecular weight of 352.26 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-2-hydroxyethanone is sourced from PubChem (CID 71376762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).