6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C107H101Cl4F11N10O20 — CID 163559503

IUPAC6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC1(F)CC1C(=O)N1CC(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)Oc2ccc(Cl)cc21.COc1ccc2oc(C(=O)CC34CC(NC(=O)COc5ccc(C)c(F)c5)(C3)C4)cc(=O)c2n1.Cc1ccc(OCC(=O)NC23CC(CC(=O)[C@@H]4C[C@@H](NCC(F)(F)F)c5cc(Cl)ccc5O4)(C2)C3)cc1F.Cc1ccc2c(c1)N(C(=O)C1(C(F)(F)F)CC1)CC(C(=O)NC13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2
InChIInChI=1S/C28H26ClF4N3O5.C27H25Cl2F2N3O5.C27H27ClF4N2O4.C25H23FN2O6/c1-15-2-5-20-19(8-15)36(24(39)27(6-7-27)28(31,32)33)10-21(41-20)23(38)35-26-12-25(13-26,14-26)34-22(37)11-40-16-3-4-17(29)18(30)9-16;1-25(31)8-16(25)24(37)34-9-21(39-20-5-2-14(28)6-19(20)34)23(36)33-27-11-26(12-27,13-27)32-22(35)10-38-15-3-4-17(29)18(30)7-15;1-15-2-4-17(7-19(15)29)37-10-24(36)34-26-11-25(12-26,13-26)9-21(35)23-8-20(33-14-27(30,31)32)18-6-16(28)3-5-22(18)38-23;1-14-3-4-15(7-16(14)26)33-10-21(31)28-25-11-24(12-25,13-25)9-18(30)20-8-17(29)23-19(34-20)5-6-22(27-23)32-2/h2-5,8-9,21H,6-7,10-14H2,1H3,(H,34,37)(H,35,38);2-7,16,21H,8-13H2,1H3,(H,32,35)(H,33,36);2-7,20,23,33H,8-14H2,1H3,(H,34,36);3-8H,9-13H2,1-2H3,(H,28,31)/t;;20-,23+,25?,26?;/m..1./s1
InChIKeyFPZUSWALVKZUJO-RUPGKQDZSA-N
MW2197.82 g/mol
LogP16.72
Rot. Bonds31

About 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 163559503) has the molecular formula C107H101Cl4F11N10O20 and a molecular weight of 2197.82 g/mol. Its IUPAC name is 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID163559503
Molecular FormulaC107H101Cl4F11N10O20
Molecular Weight2197.82 g/mol
Exact Mass2194.58
IUPAC Name6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC1(F)CC1C(=O)N1CC(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)Oc2ccc(Cl)cc21.COc1ccc2oc(C(=O)CC34CC(NC(=O)COc5ccc(C)c(F)c5)(C3)C4)cc(=O)c2n1.Cc1ccc(OCC(=O)NC23CC(CC(=O)[C@@H]4C[C@@H](NCC(F)(F)F)c5cc(Cl)ccc5O4)(C2)C3)cc1F.Cc1ccc2c(c1)N(C(=O)C1(C(F)(F)F)CC1)CC(C(=O)NC13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2
InChIInChI=1S/C28H26ClF4N3O5.C27H25Cl2F2N3O5.C27H27ClF4N2O4.C25H23FN2O6/c1-15-2-5-20-19(8-15)36(24(39)27(6-7-27)28(31,32)33)10-21(41-20)23(38)35-26-12-25(13-26,14-26)34-22(37)11-40-16-3-4-17(29)18(30)9-16;1-25(31)8-16(25)24(37)34-9-21(39-20-5-2-14(28)6-19(20)34)23(36)33-27-11-26(12-27,13-27)32-22(35)10-38-15-3-4-17(29)18(30)7-15;1-15-2-4-17(7-19(15)29)37-10-24(36)34-26-11-25(12-26,13-26)9-21(35)23-8-20(33-14-27(30,31)32)18-6-16(28)3-5-22(18)38-23;1-14-3-4-15(7-16(14)26)33-10-21(31)28-25-11-24(12-25,13-25)9-18(30)20-8-17(29)23-19(34-20)5-6-22(27-23)32-2/h2-5,8-9,21H,6-7,10-14H2,1H3,(H,34,37)(H,35,38);2-7,16,21H,8-13H2,1H3,(H,32,35)(H,33,36);2-7,20,23,33H,8-14H2,1H3,(H,34,36);3-8H,9-13H2,1-2H3,(H,28,31)/t;;20-,23+,25?,26?;/m..1./s1
InChIKeyFPZUSWALVKZUJO-RUPGKQDZSA-N
XLogP16.72
TPSA378.33 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002197.82
LogP ≤ 516.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-chloro-2-[2-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-3,4-dihydro-2H-chromen-4-yl]amino]cyclopropane-1-carboxylic acid;N-[3-[2-[6-chloro-4-[(3-hydroxycyclobutyl)amino]-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[[(2S)-6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl]amino]-1-bicyclo[2.2.2]octanyl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide;N-[4-[[(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl]amino]-1-bicyclo[2.2.2]octanyl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide
CID 163567642
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-hydroxyethylamino)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methoxy-3,4-dihydro-2H-pyrano[3,2-b]pyridine-2-carboxamide;N-[3-[2-[(2S)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetamide;methyl 2-[[2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamoyl]-6-methyl-3,4-dihydro-2H-chromen-4-yl]amino]acetate
CID 163629562
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 163559503) is 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC1(F)CC1C(=O)N1CC(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)Oc2ccc(Cl)cc21.COc1ccc2oc(C(=O)CC34CC(NC(=O)COc5ccc(C)c(F)c5)(C3)C4)cc(=O)c2n1.Cc1ccc(OCC(=O)NC23CC(CC(=O)[C@@H]4C[C@@H](NCC(F)(F)F)c5cc(Cl)ccc5O4)(C2)C3)cc1F.Cc1ccc2c(c1)N(C(=O)C1(C(F)(F)F)CC1)CC(C(=O)NC13CC(NC(=O)COc4ccc(Cl)c(F)c4)(C1)C3)O2.
What is the InChIKey of 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is FPZUSWALVKZUJO-RUPGKQDZSA-N. The full InChI is InChI=1S/C28H26ClF4N3O5.C27H25Cl2F2N3O5.C27H27ClF4N2O4.C25H23FN2O6/c1-15-2-5-20-19(8-15)36(24(39)27(6-7-27)28(31,32)33)10-21(41-20)23(38)35-26-12-25(13-26,14-26)34-22(37)11-40-16-3-4-17(29)18(30)9-16;1-25(31)8-16(25)24(37)34-9-21(39-20-5-2-14(28)6-19(20)34)23(36)33-27-11-26(12-27,13-27)32-22(35)10-38-15-3-4-17(29)18(30)7-15;1-15-2-4-17(7-19(15)29)37-10-24(36)34-26-11-25(12-26,13-26)9-21(35)23-8-20(33-14-27(30,31)32)18-6-16(28)3-5-22(18)38-23;1-14-3-4-15(7-16(14)26)33-10-21(31)28-25-11-24(12-25,13-25)9-18(30)20-8-17(29)23-19(34-20)5-6-22(27-23)32-2/h2-5,8-9,21H,6-7,10-14H2,1H3,(H,34,37)(H,35,38);2-7,16,21H,8-13H2,1H3,(H,32,35)(H,33,36);2-7,20,23,33H,8-14H2,1H3,(H,34,36);3-8H,9-13H2,1-2H3,(H,28,31)/t;;20-,23+,25?,26?;/m..1./s1.
What are the key properties of 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2197.82 g/mol, XLogP of 16.72, 31 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(2-fluoro-2-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[3-[2-[(2S,4R)-6-chloro-4-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-(6-methoxy-4-oxopyrano[3,2-b]pyridin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 163559503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).