N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

C22H18Cl2N2O3 — CID 3963036

IUPACN-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESCN(Cc1ccccc1)C(=O)C(C(=O)c1ccc(Cl)cc1Cl)n1ccccc1=O
InChIInChI=1S/C22H18Cl2N2O3/c1-25(14-15-7-3-2-4-8-15)22(29)20(26-12-6-5-9-19(26)27)21(28)17-11-10-16(23)13-18(17)24/h2-13,20H,14H2,1H3
InChIKeyLNOGUFMBQBUUCU-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.24
Rot. Bonds6

About N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (PubChem CID 3963036) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
PubChem CID3963036
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC NameN-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESCN(Cc1ccccc1)C(=O)C(C(=O)c1ccc(Cl)cc1Cl)n1ccccc1=O
InChIInChI=1S/C22H18Cl2N2O3/c1-25(14-15-7-3-2-4-8-15)22(29)20(26-12-6-5-9-19(26)27)21(28)17-11-10-16(23)13-18(17)24/h2-13,20H,14H2,1H3
InChIKeyLNOGUFMBQBUUCU-UHFFFAOYSA-N
XLogP4.24
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 51362607
(2S)-N-benzyl-2-(5-chloro-2-oxo-1-pyridinyl)-N-methyl-3-(3-nitrophenyl)-3-oxopropanamide
CID 41201131
(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
CID 7297791
(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 42502735
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide
CID 95781081
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate
CID 989933
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one
CID 64637609
1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 51361789
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide
CID 78786179

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (CID 3963036) is N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is CN(Cc1ccccc1)C(=O)C(C(=O)c1ccc(Cl)cc1Cl)n1ccccc1=O.
What is the InChIKey of N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is LNOGUFMBQBUUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-25(14-15-7-3-2-4-8-15)22(29)20(26-12-6-5-9-19(26)27)21(28)17-11-10-16(23)13-18(17)24/h2-13,20H,14H2,1H3.
What are the key properties of N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 429.30 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 3963036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).