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

C23H18F2N4O3 — CID 27555493

IUPACN-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)NCc1ccc(F)cc1
InChIInChI=1S/C23H18F2N4O3/c24-17-7-3-15(4-8-17)12-27-20(30)14-28-19-2-1-11-26-21(19)22(31)29(23(28)32)13-16-5-9-18(25)10-6-16/h1-11H,12-14H2,(H,27,30)
InChIKeyDSYRAAOOEBQIBD-UHFFFAOYSA-N
MW436.42 g/mol
LogP2.20
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 27555493) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID27555493
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)NCc1ccc(F)cc1
InChIInChI=1S/C23H18F2N4O3/c24-17-7-3-15(4-8-17)12-27-20(30)14-28-19-2-1-11-26-21(19)22(31)29(23(28)32)13-16-5-9-18(25)10-6-16/h1-11H,12-14H2,(H,27,30)
InChIKeyDSYRAAOOEBQIBD-UHFFFAOYSA-N
XLogP2.20
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide (CID 27555493) is N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide is O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is DSYRAAOOEBQIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c24-17-7-3-15(4-8-17)12-27-20(30)14-28-19-2-1-11-26-21(19)22(31)29(23(28)32)13-16-5-9-18(25)10-6-16/h1-11H,12-14H2,(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 436.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 27555493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).