N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide

C20H17Cl3FN3O2 — CID 168824690

IUPACN-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide
SMILESCC(=O)NCCCc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C20H17Cl3FN3O2/c1-10-6-17(29)18-16(4-3-5-25-11(2)28)26-9-15(23)20(18)27(10)19-13(21)7-12(24)8-14(19)22/h6-9H,3-5H2,1-2H3,(H,25,28)
InChIKeyWFASURCDORZEHH-UHFFFAOYSA-N
MW456.73 g/mol
LogP4.86
Rot. Bonds5

About N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide

N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide (PubChem CID 168824690) has the molecular formula C20H17Cl3FN3O2 and a molecular weight of 456.73 g/mol. Its IUPAC name is N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide
PubChem CID168824690
Molecular FormulaC20H17Cl3FN3O2
Molecular Weight456.73 g/mol
Exact Mass455.04
IUPAC NameN-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide
SMILESCC(=O)NCCCc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C20H17Cl3FN3O2/c1-10-6-17(29)18-16(4-3-5-25-11(2)28)26-9-15(23)20(18)27(10)19-13(21)7-12(24)8-14(19)22/h6-9H,3-5H2,1-2H3,(H,25,28)
InChIKeyWFASURCDORZEHH-UHFFFAOYSA-N
XLogP4.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.73
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide?
The IUPAC name of N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide (CID 168824690) is N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide?
The canonical SMILES for N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide is CC(=O)NCCCc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide?
The InChIKey is WFASURCDORZEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3FN3O2/c1-10-6-17(29)18-16(4-3-5-25-11(2)28)26-9-15(23)20(18)27(10)19-13(21)7-12(24)8-14(19)22/h6-9H,3-5H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide?
N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide has a molecular weight of 456.73 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide is sourced from PubChem (CID 168824690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).