1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate

C274H257F17N24O27 — CID 157221941

IUPAC1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
SMILESCC(OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1c(F)cccc1F.CC(OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1cccc(C(F)(F)F)c1.CC(OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1C(F)(F)F.CCC[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(C)cc1F)c1ccccc1.C[C@@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.C[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OC(C)c2ccc(C(F)(F)F)cc2)c(F)c1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)O[C@H](C)c2ccccc2)c(F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCCCC(F)(F)F
InChIInChI=1S/C33H33FN2O3.C32H28F4N2O3.2C31H28F3N3O3.C31H29FN2O3.C30H27F2N3O3.2C30H29N3O3.C26H26F3N3O3/c1-3-11-31(24-12-5-4-6-13-24)39-33(38)36-21-25-14-7-8-15-27(25)28-16-9-10-17-29(28)32(37)35-22-26-19-18-23(2)20-30(26)34;1-20-11-12-24(29(33)17-20)19-37-30(39)28-10-6-5-9-27(28)26-8-4-3-7-23(26)18-38-31(40)41-21(2)22-13-15-25(16-14-22)32(34,35)36;1-21(24-12-6-7-16-28(24)31(32,33)34)40-30(39)37-20-22-10-2-3-13-25(22)26-14-4-5-15-27(26)29(38)36-19-17-23-11-8-9-18-35-23;1-21(22-10-8-11-24(19-22)31(32,33)34)40-30(39)37-20-23-9-2-3-13-26(23)27-14-4-5-15-28(27)29(38)36-18-16-25-12-6-7-17-35-25;1-21-16-17-25(29(32)18-21)20-33-30(35)28-15-9-8-14-27(28)26-13-7-6-12-24(26)19-34-31(36)37-22(2)23-10-4-3-5-11-23;1-20(28-26(31)14-8-15-27(28)32)38-30(37)35-19-21-9-2-3-11-23(21)24-12-4-5-13-25(24)29(36)34-18-16-22-10-6-7-17-33-22;2*1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25;27-26(28,29)14-7-17-35-25(34)32-18-19-8-1-2-10-21(19)22-11-3-4-12-23(22)24(33)31-16-13-20-9-5-6-15-30-20/h4-10,12-20,31H,3,11,21-22H2,1-2H3,(H,35,37)(H,36,38);3-17,21H,18-19H2,1-2H3,(H,37,39)(H,38,40);2-16,18,21H,17,19-20H2,1H3,(H,36,38)(H,37,39);2-15,17,19,21H,16,18,20H2,1H3,(H,36,38)(H,37,39);3-18,22H,19-20H2,1-2H3,(H,33,35)(H,34,36);2-15,17,20H,16,18-19H2,1H3,(H,34,36)(H,35,37);2*2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35);1-6,8-12,15H,7,13-14,16-18H2,(H,31,33)(H,32,34)/t31-;;;;22-;;2*22-;/m0...1.10./s1
InChIKeyATCDNWUTOLDOEJ-REODZIRRSA-N
MW4641.18 g/mol
LogP58.10
Rot. Bonds81

About 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate

1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate (PubChem CID 157221941) has the molecular formula C274H257F17N24O27 and a molecular weight of 4641.18 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
PubChem CID157221941
Molecular FormulaC274H257F17N24O27
Molecular Weight4641.18 g/mol
Exact Mass4637.92
IUPAC Name1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
SMILESCC(OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1c(F)cccc1F.CC(OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1cccc(C(F)(F)F)c1.CC(OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1C(F)(F)F.CCC[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(C)cc1F)c1ccccc1.C[C@@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.C[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OC(C)c2ccc(C(F)(F)F)cc2)c(F)c1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)O[C@H](C)c2ccccc2)c(F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCCCC(F)(F)F
InChIInChI=1S/C33H33FN2O3.C32H28F4N2O3.2C31H28F3N3O3.C31H29FN2O3.C30H27F2N3O3.2C30H29N3O3.C26H26F3N3O3/c1-3-11-31(24-12-5-4-6-13-24)39-33(38)36-21-25-14-7-8-15-27(25)28-16-9-10-17-29(28)32(37)35-22-26-19-18-23(2)20-30(26)34;1-20-11-12-24(29(33)17-20)19-37-30(39)28-10-6-5-9-27(28)26-8-4-3-7-23(26)18-38-31(40)41-21(2)22-13-15-25(16-14-22)32(34,35)36;1-21(24-12-6-7-16-28(24)31(32,33)34)40-30(39)37-20-22-10-2-3-13-25(22)26-14-4-5-15-27(26)29(38)36-19-17-23-11-8-9-18-35-23;1-21(22-10-8-11-24(19-22)31(32,33)34)40-30(39)37-20-23-9-2-3-13-26(23)27-14-4-5-15-28(27)29(38)36-18-16-25-12-6-7-17-35-25;1-21-16-17-25(29(32)18-21)20-33-30(35)28-15-9-8-14-27(28)26-13-7-6-12-24(26)19-34-31(36)37-22(2)23-10-4-3-5-11-23;1-20(28-26(31)14-8-15-27(28)32)38-30(37)35-19-21-9-2-3-11-23(21)24-12-4-5-13-25(24)29(36)34-18-16-22-10-6-7-17-33-22;2*1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25;27-26(28,29)14-7-17-35-25(34)32-18-19-8-1-2-10-21(19)22-11-3-4-12-23(22)24(33)31-16-13-20-9-5-6-15-30-20/h4-10,12-20,31H,3,11,21-22H2,1-2H3,(H,35,37)(H,36,38);3-17,21H,18-19H2,1-2H3,(H,37,39)(H,38,40);2-16,18,21H,17,19-20H2,1H3,(H,36,38)(H,37,39);2-15,17,19,21H,16,18,20H2,1H3,(H,36,38)(H,37,39);3-18,22H,19-20H2,1-2H3,(H,33,35)(H,34,36);2-15,17,20H,16,18-19H2,1H3,(H,34,36)(H,35,37);2*2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35);1-6,8-12,15H,7,13-14,16-18H2,(H,31,33)(H,32,34)/t31-;;;;22-;;2*22-;/m0...1.10./s1
InChIKeyATCDNWUTOLDOEJ-REODZIRRSA-N
XLogP58.10
TPSA684.21 Ų
H-Bond Donors18
H-Bond Acceptors33
Rotatable Bonds81
Heavy Atoms342
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004641.18
LogP ≤ 558.10
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1033

Analyze 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The IUPAC name of 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate (CID 157221941) is 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate.
What is the SMILES notation for 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The canonical SMILES for 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate is CC(OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1c(F)cccc1F.CC(OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1cccc(C(F)(F)F)c1.CC(OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1C(F)(F)F.CCC[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(C)cc1F)c1ccccc1.C[C@@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.C[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OC(C)c2ccc(C(F)(F)F)cc2)c(F)c1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)O[C@H](C)c2ccccc2)c(F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCCCC(F)(F)F.
What is the InChIKey of 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The InChIKey is ATCDNWUTOLDOEJ-REODZIRRSA-N. The full InChI is InChI=1S/C33H33FN2O3.C32H28F4N2O3.2C31H28F3N3O3.C31H29FN2O3.C30H27F2N3O3.2C30H29N3O3.C26H26F3N3O3/c1-3-11-31(24-12-5-4-6-13-24)39-33(38)36-21-25-14-7-8-15-27(25)28-16-9-10-17-29(28)32(37)35-22-26-19-18-23(2)20-30(26)34;1-20-11-12-24(29(33)17-20)19-37-30(39)28-10-6-5-9-27(28)26-8-4-3-7-23(26)18-38-31(40)41-21(2)22-13-15-25(16-14-22)32(34,35)36;1-21(24-12-6-7-16-28(24)31(32,33)34)40-30(39)37-20-22-10-2-3-13-25(22)26-14-4-5-15-27(26)29(38)36-19-17-23-11-8-9-18-35-23;1-21(22-10-8-11-24(19-22)31(32,33)34)40-30(39)37-20-23-9-2-3-13-26(23)27-14-4-5-15-28(27)29(38)36-18-16-25-12-6-7-17-35-25;1-21-16-17-25(29(32)18-21)20-33-30(35)28-15-9-8-14-27(28)26-13-7-6-12-24(26)19-34-31(36)37-22(2)23-10-4-3-5-11-23;1-20(28-26(31)14-8-15-27(28)32)38-30(37)35-19-21-9-2-3-11-23(21)24-12-4-5-13-25(24)29(36)34-18-16-22-10-6-7-17-33-22;2*1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25;27-26(28,29)14-7-17-35-25(34)32-18-19-8-1-2-10-21(19)22-11-3-4-12-23(22)24(33)31-16-13-20-9-5-6-15-30-20/h4-10,12-20,31H,3,11,21-22H2,1-2H3,(H,35,37)(H,36,38);3-17,21H,18-19H2,1-2H3,(H,37,39)(H,38,40);2-16,18,21H,17,19-20H2,1H3,(H,36,38)(H,37,39);2-15,17,19,21H,16,18,20H2,1H3,(H,36,38)(H,37,39);3-18,22H,19-20H2,1-2H3,(H,33,35)(H,34,36);2-15,17,20H,16,18-19H2,1H3,(H,34,36)(H,35,37);2*2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35);1-6,8-12,15H,7,13-14,16-18H2,(H,31,33)(H,32,34)/t31-;;;;22-;;2*22-;/m0...1.10./s1.
What are the key properties of 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate has a molecular weight of 4641.18 g/mol, XLogP of 58.10, 81 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[3-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 157221941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).