1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one

C15H15Cl2NO2 — CID 67305124

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one
SMILESCC(C)Oc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1
InChIInChI=1S/C15H15Cl2NO2/c1-10(2)20-13-5-6-18(15(19)8-13)9-11-3-4-12(16)7-14(11)17/h3-8,10H,9H2,1-2H3
InChIKeyNYPUIHQQHIPTSM-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.99
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one

1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one (PubChem CID 67305124) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one
PubChem CID67305124
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one
SMILESCC(C)Oc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1
InChIInChI=1S/C15H15Cl2NO2/c1-10(2)20-13-5-6-18(15(19)8-13)9-11-3-4-12(16)7-14(11)17/h3-8,10H,9H2,1-2H3
InChIKeyNYPUIHQQHIPTSM-UHFFFAOYSA-N
XLogP3.99
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
CID 16657539
4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
CID 67306359
1-[(2,4-dichloro-5-fluorophenyl)methyl]-4-(3-methylbutoxy)pyridin-2-one
CID 67305182
1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 114850273
1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol
CID 79107600
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one
CID 115614073
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazole-5-carbaldehyde
CID 86617643
1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one
CID 79777883
2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 63410917
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 3774896
methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 2764860
5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
CID 22271280

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one (CID 67305124) is 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one is CC(C)Oc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one?
The InChIKey is NYPUIHQQHIPTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-10(2)20-13-5-6-18(15(19)8-13)9-11-3-4-12(16)7-14(11)17/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one?
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one has a molecular weight of 312.20 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one is sourced from PubChem (CID 67305124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).