N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide

C24H20Cl2N2O2 — CID 46588611

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H20Cl2N2O2/c1-15(17-12-11-16(25)13-20(17)26)27(2)23(29)14-28-21-9-5-3-7-18(21)24(30)19-8-4-6-10-22(19)28/h3-13,15H,14H2,1-2H3
InChIKeyKJFRDRBDXYKZKO-UHFFFAOYSA-N
MW439.34 g/mol
LogP5.68
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 46588611) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
PubChem CID46588611
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H20Cl2N2O2/c1-15(17-12-11-16(25)13-20(17)26)27(2)23(29)14-28-21-9-5-3-7-18(21)24(30)19-8-4-6-10-22(19)28/h3-13,15H,14H2,1-2H3
InChIKeyKJFRDRBDXYKZKO-UHFFFAOYSA-N
XLogP5.68
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 134004048
N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 25348614
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 30135418
(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587182
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 38550234
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 86925735
N-(2-hydroxyethyl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 110885996
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 55719138
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 8986652

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide (CID 46588611) is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is KJFRDRBDXYKZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c1-15(17-12-11-16(25)13-20(17)26)27(2)23(29)14-28-21-9-5-3-7-18(21)24(30)19-8-4-6-10-22(19)28/h3-13,15H,14H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 439.34 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 46588611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).