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

C24H24ClN3O4 — CID 99743756

IUPAC2-[(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
SMILESC[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O
InChIInChI=1S/C24H24ClN3O4/c1-15(11-12-16-7-3-2-4-8-16)26-20(29)13-28-19-14-32-23(30)21(19)22(27-24(28)31)17-9-5-6-10-18(17)25/h2-10,15,22H,11-14H2,1H3,(H,26,29)(H,27,31)/t15-,22-/m0/s1
InChIKeyIOLXGLUOUIGDLX-NYHFZMIOSA-N
MW453.93 g/mol
LogP3.35
Rot. Bonds7

About 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

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 (PubChem CID 99743756) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID99743756
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC Name2-[(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
SMILESC[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O
InChIInChI=1S/C24H24ClN3O4/c1-15(11-12-16-7-3-2-4-8-16)26-20(29)13-28-19-14-32-23(30)21(19)22(27-24(28)31)17-9-5-6-10-18(17)25/h2-10,15,22H,11-14H2,1H3,(H,26,29)(H,27,31)/t15-,22-/m0/s1
InChIKeyIOLXGLUOUIGDLX-NYHFZMIOSA-N
XLogP3.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O.
What is the InChIKey of 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?
The InChIKey is IOLXGLUOUIGDLX-NYHFZMIOSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c1-15(11-12-16-7-3-2-4-8-16)26-20(29)13-28-19-14-32-23(30)21(19)22(27-24(28)31)17-9-5-6-10-18(17)25/h2-10,15,22H,11-14H2,1H3,(H,26,29)(H,27,31)/t15-,22-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 453.93 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 99743756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).