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

C23H17ClFN3O3 — CID 46925448

IUPAC2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1ccccc1F
InChIInChI=1S/C23H17ClFN3O3/c24-16-11-9-15(10-12-16)13-28-22(30)17-5-1-4-8-20(17)27(23(28)31)14-21(29)26-19-7-3-2-6-18(19)25/h1-12H,13-14H2,(H,26,29)
InChIKeyJGKPGJJMBYLWTH-UHFFFAOYSA-N
MW437.86 g/mol
LogP3.64
Rot. Bonds5

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

2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 46925448) has the molecular formula C23H17ClFN3O3 and a molecular weight of 437.86 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID46925448
Molecular FormulaC23H17ClFN3O3
Molecular Weight437.86 g/mol
Exact Mass437.09
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1ccccc1F
InChIInChI=1S/C23H17ClFN3O3/c24-16-11-9-15(10-12-16)13-28-22(30)17-5-1-4-8-20(17)27(23(28)31)14-21(29)26-19-7-3-2-6-18(19)25/h1-12H,13-14H2,(H,26,29)
InChIKeyJGKPGJJMBYLWTH-UHFFFAOYSA-N
XLogP3.64
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 46925452
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617
N-(3-chloro-2-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46860994
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925503
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46857122
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 41233349
2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 46925353
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
N-tert-butyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861008
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 46925484

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide (CID 46925448) is 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1ccccc1F.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is JGKPGJJMBYLWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3/c24-16-11-9-15(10-12-16)13-28-22(30)17-5-1-4-8-20(17)27(23(28)31)14-21(29)26-19-7-3-2-6-18(19)25/h1-12H,13-14H2,(H,26,29).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 437.86 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 46925448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).