N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide

C23H18ClFN4O4 — CID 20879764

IUPACN-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(Cl)cc3F)c2=O)cc1
InChIInChI=1S/C23H18ClFN4O4/c1-33-16-7-4-14(5-8-16)12-29-22(31)17-3-2-10-26-21(17)28(23(29)32)13-20(30)27-19-9-6-15(24)11-18(19)25/h2-11H,12-13H2,1H3,(H,27,30)
InChIKeyGSHOXPHEAMGGCA-UHFFFAOYSA-N
MW468.87 g/mol
LogP3.05
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide (PubChem CID 20879764) has the molecular formula C23H18ClFN4O4 and a molecular weight of 468.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
PubChem CID20879764
Molecular FormulaC23H18ClFN4O4
Molecular Weight468.87 g/mol
Exact Mass468.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(Cl)cc3F)c2=O)cc1
InChIInChI=1S/C23H18ClFN4O4/c1-33-16-7-4-14(5-8-16)12-29-22(31)17-3-2-10-26-21(17)28(23(29)32)13-20(30)27-19-9-6-15(24)11-18(19)25/h2-11H,12-13H2,1H3,(H,27,30)
InChIKeyGSHOXPHEAMGGCA-UHFFFAOYSA-N
XLogP3.05
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide (CID 20879764) is N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide is COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(Cl)cc3F)c2=O)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
The InChIKey is GSHOXPHEAMGGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O4/c1-33-16-7-4-14(5-8-16)12-29-22(31)17-3-2-10-26-21(17)28(23(29)32)13-20(30)27-19-9-6-15(24)11-18(19)25/h2-11H,12-13H2,1H3,(H,27,30).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide has a molecular weight of 468.87 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 20879764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).