2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide

C21H15ClFN5O3 — CID 53062808

IUPAC2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21)Nc1ccccc1F
InChIInChI=1S/C21H15ClFN5O3/c22-14-6-2-1-5-13(14)11-28-20(30)18-19(25-10-9-24-18)27(21(28)31)12-17(29)26-16-8-4-3-7-15(16)23/h1-10H,11-12H2,(H,26,29)
InChIKeyKMWPHDPKHZJBPQ-UHFFFAOYSA-N
MW439.83 g/mol
LogP2.43
Rot. Bonds5

About 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide

2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 53062808) has the molecular formula C21H15ClFN5O3 and a molecular weight of 439.83 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID53062808
Molecular FormulaC21H15ClFN5O3
Molecular Weight439.83 g/mol
Exact Mass439.08
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21)Nc1ccccc1F
InChIInChI=1S/C21H15ClFN5O3/c22-14-6-2-1-5-13(14)11-28-20(30)18-19(25-10-9-24-18)27(21(28)31)12-17(29)26-16-8-4-3-7-15(16)23/h1-10H,11-12H2,(H,26,29)
InChIKeyKMWPHDPKHZJBPQ-UHFFFAOYSA-N
XLogP2.43
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 41233349
ethyl 2-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopteridin-1-yl]acetyl]amino]benzoate
CID 27371875
2-[3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxopyrimido[5,4-b]indol-5-yl]-N-(2-fluorophenyl)acetamide
CID 53026186
3-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]pteridine-2,4-dione
CID 27372860
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(3-methylphenyl)acetamide
CID 53062752
2-(3-benzyl-2,4-dioxopteridin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53062713
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide
CID 53062897
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 53062944
N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
CID 53062913
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 53062744
N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062935

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide (CID 53062808) is 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21)Nc1ccccc1F.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is KMWPHDPKHZJBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O3/c22-14-6-2-1-5-13(14)11-28-20(30)18-19(25-10-9-24-18)27(21(28)31)12-17(29)26-16-8-4-3-7-15(16)23/h1-10H,11-12H2,(H,26,29).
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 439.83 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 53062808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).