2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide

C23H22ClN3O4 — CID 91894907

IUPAC2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN1C(=O)NC(c2ccccc2Cl)C2=C1COC2=O)c1cccc(C)c1
InChIInChI=1S/C23H22ClN3O4/c1-3-26(15-8-6-7-14(2)11-15)19(28)12-27-18-13-31-22(29)20(18)21(25-23(27)30)16-9-4-5-10-17(16)24/h4-11,21H,3,12-13H2,1-2H3,(H,25,30)
InChIKeyVVEPAMNQFMXHJE-UHFFFAOYSA-N
MW439.90 g/mol
LogP3.58
Rot. Bonds5

About 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide

2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 91894907) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID91894907
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC Name2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN1C(=O)NC(c2ccccc2Cl)C2=C1COC2=O)c1cccc(C)c1
InChIInChI=1S/C23H22ClN3O4/c1-3-26(15-8-6-7-14(2)11-15)19(28)12-27-18-13-31-22(29)20(18)21(25-23(27)30)16-9-4-5-10-17(16)24/h4-11,21H,3,12-13H2,1-2H3,(H,25,30)
InChIKeyVVEPAMNQFMXHJE-UHFFFAOYSA-N
XLogP3.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide with MolForge

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Related Compounds

N-ethyl-N-(4-ethylphenyl)-2-[(4S)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128297
2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 99743722
N-(4-bromo-3-methylphenyl)-2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99747873
2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 99743720
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743764
2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 99743756
2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 99743733
N-(2-chloro-5-fluorophenyl)-2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743780
N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide
CID 46857198
N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide
CID 95184616
2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 99743767
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 91894858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide (CID 91894907) is 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CN1C(=O)NC(c2ccccc2Cl)C2=C1COC2=O)c1cccc(C)c1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is VVEPAMNQFMXHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c1-3-26(15-8-6-7-14(2)11-15)19(28)12-27-18-13-31-22(29)20(18)21(25-23(27)30)16-9-4-5-10-17(16)24/h4-11,21H,3,12-13H2,1-2H3,(H,25,30).
What are the key properties of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 439.90 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 91894907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).