N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide

C17H11ClF4N4O3 — CID 38665433

IUPACN-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCn1c(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C17H11ClF4N4O3/c1-25-14-9(3-5-12(24-14)17(20,21)22)15(28)26(16(25)29)7-13(27)23-11-4-2-8(19)6-10(11)18/h2-6H,7H2,1H3,(H,23,27)
InChIKeyKDXIBGCYPQGANO-UHFFFAOYSA-N
MW430.75 g/mol
LogP2.55
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide

N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 38665433) has the molecular formula C17H11ClF4N4O3 and a molecular weight of 430.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID38665433
Molecular FormulaC17H11ClF4N4O3
Molecular Weight430.75 g/mol
Exact Mass430.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCn1c(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C17H11ClF4N4O3/c1-25-14-9(3-5-12(24-14)17(20,21)22)15(28)26(16(25)29)7-13(27)23-11-4-2-8(19)6-10(11)18/h2-6H,7H2,1H3,(H,23,27)
InChIKeyKDXIBGCYPQGANO-UHFFFAOYSA-N
XLogP2.55
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (CID 38665433) is N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is KDXIBGCYPQGANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N4O3/c1-25-14-9(3-5-12(24-14)17(20,21)22)15(28)26(16(25)29)7-13(27)23-11-4-2-8(19)6-10(11)18/h2-6H,7H2,1H3,(H,23,27).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 430.75 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 38665433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).