N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide

C24H24ClN3O4 — CID 73326879

IUPACN-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide
SMILESO=C(CN1C(=O)N(c2ccccc2)C(=O)C2OC3CCCCC3C21)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O4/c25-15-10-12-16(13-11-15)26-20(29)14-27-21-18-8-4-5-9-19(18)32-22(21)23(30)28(24(27)31)17-6-2-1-3-7-17/h1-3,6-7,10-13,18-19,21-22H,4-5,8-9,14H2,(H,26,29)
InChIKeyWZCSOWMJQANGBA-UHFFFAOYSA-N
MW453.93 g/mol
LogP4.07
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide

N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide (PubChem CID 73326879) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide
PubChem CID73326879
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC NameN-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide
SMILESO=C(CN1C(=O)N(c2ccccc2)C(=O)C2OC3CCCCC3C21)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O4/c25-15-10-12-16(13-11-15)26-20(29)14-27-21-18-8-4-5-9-19(18)32-22(21)23(30)28(24(27)31)17-6-2-1-3-7-17/h1-3,6-7,10-13,18-19,21-22H,4-5,8-9,14H2,(H,26,29)
InChIKeyWZCSOWMJQANGBA-UHFFFAOYSA-N
XLogP4.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide with MolForge

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Related Compounds

ethyl 4-[[2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetyl]amino]benzoate
CID 73451114
2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 73202173
2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 73328242
2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 75270536
1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 78460839
2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 73451132
N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 73328251
N-(2,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 73451134
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 73221087
N-(4-chlorophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571668
2-[6-bromo-3-(4-chlorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 73374199
2-[3-(3-chlorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 73370475

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide (CID 73326879) is N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide is O=C(CN1C(=O)N(c2ccccc2)C(=O)C2OC3CCCCC3C21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide?
The InChIKey is WZCSOWMJQANGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c25-15-10-12-16(13-11-15)26-20(29)14-27-21-18-8-4-5-9-19(18)32-22(21)23(30)28(24(27)31)17-6-2-1-3-7-17/h1-3,6-7,10-13,18-19,21-22H,4-5,8-9,14H2,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide?
N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide has a molecular weight of 453.93 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 73326879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).