2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide

C22H15Cl2FN4O3 — CID 27543891

IUPAC2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide
SMILESCc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H15Cl2FN4O3/c1-12-27-21-15(3-2-8-26-21)22(31)29(12)14-5-6-17(25)18(10-14)28-20(30)11-32-19-7-4-13(23)9-16(19)24/h2-10H,11H2,1H3,(H,28,30)
InChIKeyNQEFCTMVIDXYIN-UHFFFAOYSA-N
MW473.29 g/mol
LogP4.55
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide (PubChem CID 27543891) has the molecular formula C22H15Cl2FN4O3 and a molecular weight of 473.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide
PubChem CID27543891
Molecular FormulaC22H15Cl2FN4O3
Molecular Weight473.29 g/mol
Exact Mass472.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide
SMILESCc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H15Cl2FN4O3/c1-12-27-21-15(3-2-8-26-21)22(31)29(12)14-5-6-17(25)18(10-14)28-20(30)11-32-19-7-4-13(23)9-16(19)24/h2-10H,11H2,1H3,(H,28,30)
InChIKeyNQEFCTMVIDXYIN-UHFFFAOYSA-N
XLogP4.55
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide (CID 27543891) is 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide is Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide?
The InChIKey is NQEFCTMVIDXYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4O3/c1-12-27-21-15(3-2-8-26-21)22(31)29(12)14-5-6-17(25)18(10-14)28-20(30)11-32-19-7-4-13(23)9-16(19)24/h2-10H,11H2,1H3,(H,28,30).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide has a molecular weight of 473.29 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]acetamide is sourced from PubChem (CID 27543891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).