(2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide

C149H137Cl3F14N10O29 — CID 163652137

IUPAC(2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
SMILESCc1ccc(OCC(=O)NC23CC(CC(=O)c4cc(=O)c5cc(Cl)c(F)cc5o4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)c4cc(=O)c5ccc(C(F)(F)F)cc5o4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CC3)cc1F.Cc1ccc2c(c1)C(=O)C[C@H](C(=O)CC13CC(NC(=O)c4ccc(OC(F)(F)F)cn4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccc(Cl)c(F)c4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccc(OC(F)(F)F)nc4)(C1)C3)O2
InChIInChI=1S/C28H31ClFNO5.C26H21F4NO5.C25H20ClF2NO5.C24H21F3N2O5.C23H22ClFN2O4.C23H22F3N3O5/c1-17-2-4-19(13-21(17)30)35-16-26(34)31-28-9-6-27(7-10-28,8-11-28)15-23(33)25-14-22(32)20-12-18(29)3-5-24(20)36-25;1-14-2-4-16(7-18(14)27)35-10-23(34)31-25-11-24(12-25,13-25)9-20(33)22-8-19(32)17-5-3-15(26(28,29)30)6-21(17)36-22;1-13-2-3-14(4-17(13)27)33-9-23(32)29-25-10-24(11-25,12-25)8-20(31)22-7-19(30)15-5-16(26)18(28)6-21(15)34-22;1-13-2-5-19-15(6-13)17(30)7-20(33-19)18(31)8-22-10-23(11-22,12-22)29-21(32)16-4-3-14(9-28-16)34-24(25,26)27;1-12-2-5-18-14(6-12)17(28)8-19(31-18)21(30)27-23-9-22(10-23,11-23)26-20(29)13-3-4-15(24)16(25)7-13;1-12-2-4-16-14(6-12)15(30)7-17(33-16)20(32)29-22-9-21(10-22,11-22)28-19(31)13-3-5-18(27-8-13)34-23(24,25)26/h2-5,12-13,22,25,32H,6-11,14-16H2,1H3,(H,31,34);2-8H,9-13H2,1H3,(H,31,34);2-7H,8-12H2,1H3,(H,29,32);2-6,9,20H,7-8,10-12H2,1H3,(H,29,32);2-7,17,19,28H,8-11H2,1H3,(H,26,29)(H,27,30);2-6,8,15,17,30H,7,9-11H2,1H3,(H,28,31)(H,29,32)/t22-,25-,27?,28?;;;20-,22?,23?;17-,19-,22?,23?;15-,17-,21?,22?/m1..111/s1
InChIKeyINBWJAXNJCXPIU-UZUGFXOHSA-N
MW2904.11 g/mol
LogP24.72
Rot. Bonds36

About (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide

(2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide (PubChem CID 163652137) has the molecular formula C149H137Cl3F14N10O29 and a molecular weight of 2904.11 g/mol. Its IUPAC name is (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
PubChem CID163652137
Molecular FormulaC149H137Cl3F14N10O29
Molecular Weight2904.11 g/mol
Exact Mass2900.84
IUPAC Name(2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
SMILESCc1ccc(OCC(=O)NC23CC(CC(=O)c4cc(=O)c5cc(Cl)c(F)cc5o4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)c4cc(=O)c5ccc(C(F)(F)F)cc5o4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CC3)cc1F.Cc1ccc2c(c1)C(=O)C[C@H](C(=O)CC13CC(NC(=O)c4ccc(OC(F)(F)F)cn4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccc(Cl)c(F)c4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccc(OC(F)(F)F)nc4)(C1)C3)O2
InChIInChI=1S/C28H31ClFNO5.C26H21F4NO5.C25H20ClF2NO5.C24H21F3N2O5.C23H22ClFN2O4.C23H22F3N3O5/c1-17-2-4-19(13-21(17)30)35-16-26(34)31-28-9-6-27(7-10-28,8-11-28)15-23(33)25-14-22(32)20-12-18(29)3-5-24(20)36-25;1-14-2-4-16(7-18(14)27)35-10-23(34)31-25-11-24(12-25,13-25)9-20(33)22-8-19(32)17-5-3-15(26(28,29)30)6-21(17)36-22;1-13-2-3-14(4-17(13)27)33-9-23(32)29-25-10-24(11-25,12-25)8-20(31)22-7-19(30)15-5-16(26)18(28)6-21(15)34-22;1-13-2-5-19-15(6-13)17(30)7-20(33-19)18(31)8-22-10-23(11-22,12-22)29-21(32)16-4-3-14(9-28-16)34-24(25,26)27;1-12-2-5-18-14(6-12)17(28)8-19(31-18)21(30)27-23-9-22(10-23,11-23)26-20(29)13-3-4-15(24)16(25)7-13;1-12-2-4-16-14(6-12)15(30)7-17(33-16)20(32)29-22-9-21(10-22,11-22)28-19(31)13-3-5-18(27-8-13)34-23(24,25)26/h2-5,12-13,22,25,32H,6-11,14-16H2,1H3,(H,31,34);2-8H,9-13H2,1H3,(H,31,34);2-7H,8-12H2,1H3,(H,29,32);2-6,9,20H,7-8,10-12H2,1H3,(H,29,32);2-7,17,19,28H,8-11H2,1H3,(H,26,29)(H,27,30);2-6,8,15,17,30H,7,9-11H2,1H3,(H,28,31)(H,29,32)/t22-,25-,27?,28?;;;20-,22?,23?;17-,19-,22?,23?;15-,17-,21?,22?/m1..111/s1
InChIKeyINBWJAXNJCXPIU-UZUGFXOHSA-N
XLogP24.72
TPSA548.11 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds36
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002904.11
LogP ≤ 524.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide (CID 163652137) is (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide is Cc1ccc(OCC(=O)NC23CC(CC(=O)c4cc(=O)c5cc(Cl)c(F)cc5o4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)c4cc(=O)c5ccc(C(F)(F)F)cc5o4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CC3)cc1F.Cc1ccc2c(c1)C(=O)C[C@H](C(=O)CC13CC(NC(=O)c4ccc(OC(F)(F)F)cn4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccc(Cl)c(F)c4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccc(OC(F)(F)F)nc4)(C1)C3)O2.
What is the InChIKey of (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?
The InChIKey is INBWJAXNJCXPIU-UZUGFXOHSA-N. The full InChI is InChI=1S/C28H31ClFNO5.C26H21F4NO5.C25H20ClF2NO5.C24H21F3N2O5.C23H22ClFN2O4.C23H22F3N3O5/c1-17-2-4-19(13-21(17)30)35-16-26(34)31-28-9-6-27(7-10-28,8-11-28)15-23(33)25-14-22(32)20-12-18(29)3-5-24(20)36-25;1-14-2-4-16(7-18(14)27)35-10-23(34)31-25-11-24(12-25,13-25)9-20(33)22-8-19(32)17-5-3-15(26(28,29)30)6-21(17)36-22;1-13-2-3-14(4-17(13)27)33-9-23(32)29-25-10-24(11-25,12-25)8-20(31)22-7-19(30)15-5-16(26)18(28)6-21(15)34-22;1-13-2-5-19-15(6-13)17(30)7-20(33-19)18(31)8-22-10-23(11-22,12-22)29-21(32)16-4-3-14(9-28-16)34-24(25,26)27;1-12-2-5-18-14(6-12)17(28)8-19(31-18)21(30)27-23-9-22(10-23,11-23)26-20(29)13-3-4-15(24)16(25)7-13;1-12-2-4-16-14(6-12)15(30)7-17(33-16)20(32)29-22-9-21(10-22,11-22)28-19(31)13-3-5-18(27-8-13)34-23(24,25)26/h2-5,12-13,22,25,32H,6-11,14-16H2,1H3,(H,31,34);2-8H,9-13H2,1H3,(H,31,34);2-7H,8-12H2,1H3,(H,29,32);2-6,9,20H,7-8,10-12H2,1H3,(H,29,32);2-7,17,19,28H,8-11H2,1H3,(H,26,29)(H,27,30);2-6,8,15,17,30H,7,9-11H2,1H3,(H,28,31)(H,29,32)/t22-,25-,27?,28?;;;20-,22?,23?;17-,19-,22?,23?;15-,17-,21?,22?/m1..111/s1.
What are the key properties of (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?
(2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide has a molecular weight of 2904.11 g/mol, XLogP of 24.72, 36 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[3-[(4-chloro-3-fluorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-(6-chloro-7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[4-oxo-7-(trifluoromethyl)chromen-2-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;N-[3-[2-[(2R)-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 163652137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).