N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide

C66H72F6N9O24P3 — CID 159207590

About N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide

N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 159207590) has the molecular formula C66H72F6N9O24P3 and a molecular weight of 1582.25 g/mol. Its IUPAC name is N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide
• PubChem CID: 159207590
• Molecular Formula: C66H72F6N9O24P3
• Molecular Weight: 1582.25 g/mol
• Exact Mass: 1581.38
• IUPAC Name: N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide
• SMILES: CC(C)OP1(=O)OC[C@H]2OC(n3ccc(NC(=O)c4ccc5c(c4)CC(C)O5)nc3=O)C(F)(F)[C@@H]2O1.CC(C)OP1(=O)OC[C@H]2OC(n3ccc(NC(=O)c4ccc5c(c4)CCC(C)O5)nc3=O)C(F)(F)[C@@H]2O1.CC(C)OP1(=O)OC[C@H]2OC(n3ccc(NC(=O)c4ccc5c(c4)CCO5)nc3=O)C(F)(F)[C@@H]2O1
• InChI: InChI=1S/C23H26F2N3O8P.C22H24F2N3O8P.C21H22F2N3O8P/c1-12(2)35-37(31)32-11-17-19(36-37)23(24,25)21(34-17)28-9-8-18(27-22(28)30)26-20(29)15-6-7-16-14(10-15)5-4-13(3)33-16;1-11(2)34-36(30)31-10-16-18(35-36)22(23,24)20(33-16)27-7-6-17(26-21(27)29)25-19(28)13-4-5-15-14(9-13)8-12(3)32-15;1-11(2)33-35(29)31-10-15-17(34-35)21(22,23)19(32-15)26-7-5-16(25-20(26)28)24-18(27)13-3-4-14-12(9-13)6-8-30-14/h6-10,12-13,17,19,21H,4-5,11H2,1-3H3,(H,26,27,29,30);4-7,9,11-12,16,18,20H,8,10H2,1-3H3,(H,25,26,28,29);3-5,7,9,11,15,17,19H,6,8,10H2,1-2H3,(H,24,25,27,28)/t13?,17-,19-,21?,37?;12?,16-,18-,20?,36?;15-,17-,19?,35?/m111/s1
• InChIKey: KQBRCXUSCKGYIR-MYGDOEHSSA-N
• XLogP: 9.90
• TPSA: 381.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.25
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide?

The IUPAC name of N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 159207590) is N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

What is the SMILES notation for N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide?

The canonical SMILES for N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide is CC(C)OP1(=O)OC[C@H]2OC(n3ccc(NC(=O)c4ccc5c(c4)CC(C)O5)nc3=O)C(F)(F)[C@@H]2O1.CC(C)OP1(=O)OC[C@H]2OC(n3ccc(NC(=O)c4ccc5c(c4)CCC(C)O5)nc3=O)C(F)(F)[C@@H]2O1.CC(C)OP1(=O)OC[C@H]2OC(n3ccc(NC(=O)c4ccc5c(c4)CCO5)nc3=O)C(F)(F)[C@@H]2O1.

What is the InChIKey of N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide?

The InChIKey is KQBRCXUSCKGYIR-MYGDOEHSSA-N. The full InChI is InChI=1S/C23H26F2N3O8P.C22H24F2N3O8P.C21H22F2N3O8P/c1-12(2)35-37(31)32-11-17-19(36-37)23(24,25)21(34-17)28-9-8-18(27-22(28)30)26-20(29)15-6-7-16-14(10-15)5-4-13(3)33-16;1-11(2)34-36(30)31-10-16-18(35-36)22(23,24)20(33-16)27-7-6-17(26-21(27)29)25-19(28)13-4-5-15-14(9-13)8-12(3)32-15;1-11(2)33-35(29)31-10-15-17(34-35)21(22,23)19(32-15)26-7-5-16(25-20(26)28)24-18(27)13-3-4-14-12(9-13)6-8-30-14/h6-10,12-13,17,19,21H,4-5,11H2,1-3H3,(H,26,27,29,30);4-7,9,11-12,16,18,20H,8,10H2,1-3H3,(H,25,26,28,29);3-5,7,9,11,15,17,19H,6,8,10H2,1-2H3,(H,24,25,27,28)/t13?,17-,19-,21?,37?;12?,16-,18-,20?,36?;15-,17-,19?,35?/m111/s1.

What are the key properties of N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide?

N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 1582.25 g/mol, XLogP of 9.90, 15 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide;N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 159207590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).