1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione

C16H14ClNO2 — CID 12619979

IUPAC1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione
SMILESCN(C)c1ccc(C(=O)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-18(2)12-9-7-11(8-10-12)15(19)16(20)13-5-3-4-6-14(13)17/h3-10H,1-2H3
InChIKeyOORZLCITADBKFX-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione

1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione (PubChem CID 12619979) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione
PubChem CID12619979
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione
SMILESCN(C)c1ccc(C(=O)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-18(2)12-9-7-11(8-10-12)15(19)16(20)13-5-3-4-6-14(13)17/h3-10H,1-2H3
InChIKeyOORZLCITADBKFX-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
1,2-bis(2-chlorophenyl)ethane-1,2-dione;1-(2,3-dichlorophenyl)-2-phenylethane-1,2-dione
CID 69255292
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
4-(dimethylamino)benzoic acid;2-ethylbenzoic acid
CID 159516213
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
CID 102282703
CID 102282703
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
CID 69397190
CID 69397190
1-(2-chlorophenyl)-2-(3,4-diethoxyphenyl)ethane-1,2-dione
CID 141186544
(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
CID 134092266
2-(2-chlorophenyl)-N-methyl-2-oxoacetamide
CID 140990273
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione?
The IUPAC name of 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione (CID 12619979) is 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione?
The canonical SMILES for 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione is CN(C)c1ccc(C(=O)C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione?
The InChIKey is OORZLCITADBKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-18(2)12-9-7-11(8-10-12)15(19)16(20)13-5-3-4-6-14(13)17/h3-10H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione?
1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione has a molecular weight of 287.75 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione is sourced from PubChem (CID 12619979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).