N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide

C26H20ClN3O4 — CID 53365733

IUPACN-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1cccc(Cl)c1
InChIInChI=1S/C26H20ClN3O4/c27-18-9-6-10-19(15-18)28-22(31)16-30-23-20-11-4-5-12-21(20)34-24(23)25(32)29(26(30)33)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,28,31)
InChIKeyHHCTUSBLSKBWQL-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.44
Rot. Bonds6

About N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide

N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 53365733) has the molecular formula C26H20ClN3O4 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID53365733
Molecular FormulaC26H20ClN3O4
Molecular Weight473.92 g/mol
Exact Mass473.11
IUPAC NameN-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1cccc(Cl)c1
InChIInChI=1S/C26H20ClN3O4/c27-18-9-6-10-19(15-18)28-22(31)16-30-23-20-11-4-5-12-21(20)34-24(23)25(32)29(26(30)33)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,28,31)
InChIKeyHHCTUSBLSKBWQL-UHFFFAOYSA-N
XLogP4.44
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53365739
N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53334662
N-(3-chlorophenyl)-2-[4,6-dioxo-5-(2-phenylethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-yl]acetamide
CID 53072943
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 20900412
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 18559848
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-chlorophenyl)acetamide
CID 20900392
1-methyl-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 155977216
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
N-cyclohexyl-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-methylacetamide
CID 53334656
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 53334673

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide (CID 53365733) is N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide is O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is HHCTUSBLSKBWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O4/c27-18-9-6-10-19(15-18)28-22(31)16-30-23-20-11-4-5-12-21(20)34-24(23)25(32)29(26(30)33)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,28,31).
What are the key properties of N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 473.92 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53365733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).