N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide

C103H99Cl5F11N11O19 — CID 163881223

About N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide

N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide (PubChem CID 163881223) has the molecular formula C103H99Cl5F11N11O19 and a molecular weight of 2181.23 g/mol. Its IUPAC name is N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide
• PubChem CID: 163881223
• Molecular Formula: C103H99Cl5F11N11O19
• Molecular Weight: 2181.23 g/mol
• Exact Mass: 2177.54
• IUPAC Name: N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide
• SMILES: COCC(=O)N1CC(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)Oc2ccc(C)cc21.Cc1cc(OCC(=O)NC23CC(NC(=O)C4CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c5cc(Cl)ccc5O4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)NC23CC(CC(=O)C4CC(N)c5cc(Cl)ccc5O4)(C2)C3)cc1F.O=C(NC12CCC(NC(=O)C3CC(=O)c4cc(Cl)ccc4O3)(CC1)CC2)c1cnc(C(F)F)cn1
• InChI: InChI=1S/C27H22Cl2F7N3O5.C27H28ClFN2O6.C25H26ClFN2O4.C24H23ClF2N4O4/c1-13-6-15(3-4-16(13)29)43-9-20(40)37-23-10-24(11-23,12-23)38-21(41)19-8-39(17-7-14(28)2-5-18(17)44-19)22(42)25(30,31)26(32,33)27(34,35)36;1-16-3-6-22-20(7-16)31(25(34)12-35-2)10-23(37-22)21(32)9-26-13-27(14-26,15-26)30-24(33)11-36-17-4-5-18(28)19(29)8-17;1-14-2-4-16(7-18(14)27)32-10-23(31)29-25-11-24(12-25,13-25)9-20(30)22-8-19(28)17-6-15(26)3-5-21(17)33-22;25-13-1-2-18-14(9-13)17(32)10-19(35-18)22(34)31-24-6-3-23(4-7-24,5-8-24)30-21(33)16-12-28-15(11-29-16)20(26)27/h2-7,19H,8-12H2,1H3,(H,37,40)(H,38,41);3-8,23H,9-15H2,1-2H3,(H,30,33);2-7,19,22H,8-13,28H2,1H3,(H,29,31);1-2,9,11-12,19-20H,3-8,10H2,(H,30,33)(H,31,34)
• InChIKey: PTJAMUHIKWUJPZ-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 392.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2181.23
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide?

The IUPAC name of N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide (CID 163881223) is N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide is COCC(=O)N1CC(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)Oc2ccc(C)cc21.Cc1cc(OCC(=O)NC23CC(NC(=O)C4CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c5cc(Cl)ccc5O4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)NC23CC(CC(=O)C4CC(N)c5cc(Cl)ccc5O4)(C2)C3)cc1F.O=C(NC12CCC(NC(=O)C3CC(=O)c4cc(Cl)ccc4O3)(CC1)CC2)c1cnc(C(F)F)cn1.

What is the InChIKey of N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide?

The InChIKey is PTJAMUHIKWUJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2F7N3O5.C27H28ClFN2O6.C25H26ClFN2O4.C24H23ClF2N4O4/c1-13-6-15(3-4-16(13)29)43-9-20(40)37-23-10-24(11-23,12-23)38-21(41)19-8-39(17-7-14(28)2-5-18(17)44-19)22(42)25(30,31)26(32,33)27(34,35)36;1-16-3-6-22-20(7-16)31(25(34)12-35-2)10-23(37-22)21(32)9-26-13-27(14-26,15-26)30-24(33)11-36-17-4-5-18(28)19(29)8-17;1-14-2-4-16(7-18(14)27)32-10-23(31)29-25-11-24(12-25,13-25)9-20(30)22-8-19(28)17-6-15(26)3-5-21(17)33-22;25-13-1-2-18-14(9-13)17(32)10-19(35-18)22(34)31-24-6-3-23(4-7-24,5-8-24)30-21(33)16-12-28-15(11-29-16)20(26)27/h2-7,19H,8-12H2,1H3,(H,37,40)(H,38,41);3-8,23H,9-15H2,1-2H3,(H,30,33);2-7,19,22H,8-13,28H2,1H3,(H,29,31);1-2,9,11-12,19-20H,3-8,10H2,(H,30,33)(H,31,34).

What are the key properties of N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide?

N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide has a molecular weight of 2181.23 g/mol, XLogP of 16.63, 29 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(4-amino-6-chloro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;6-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(2-methoxyacetyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-1-bicyclo[2.2.2]octanyl]-5-(difluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 163881223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).