1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea

C225H258Cl2F21N29O36 — CID 158125392

IUPAC1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1.CC(C)(C)OC(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.CCC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)cc1.CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1.CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.CNC(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.COc1ccc(NC(=O)NC2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)cc1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccnc(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C24H28ClF3N4O3.C24H27F3N4O4.C24H29F3N4O4.C24H28F3N3O5.C23H28N2O4.C22H23F3N2O3.C22H26N2O4.C21H23F3N4O4.C21H23F3N2O3.C20H23ClN2O2/c1-3-32(4-2)22(33)21-14-18(11-12-29-21)35-17-8-5-15(6-9-17)30-23(34)31-16-7-10-20(25)19(13-16)24(26,27)28;25-24(26,27)35-19-9-5-17(6-10-19)30-23(33)29-16-3-7-18(8-4-16)34-20-11-12-28-21(15-20)22(32)31-13-1-2-14-31;1-3-31(4-2)22(32)21-15-20(13-14-28-21)34-18-9-5-16(6-10-18)29-23(33)30-17-7-11-19(12-8-17)35-24(25,26)27;1-23(2,3)35-21(31)20-14-19(12-13-28-20)33-17-8-4-15(5-9-17)29-22(32)30-16-6-10-18(11-7-16)34-24(25,26)27;1-3-22(26)16-4-10-20(11-5-16)29-21-14-8-18(9-15-21)25-23(27)24-17-6-12-19(28-2)13-7-17;1-14(28)15-2-10-19(11-3-15)30-20-12-8-18(9-13-20)27-21(29)26-17-6-4-16(5-7-17)22(23,24)25;1-15(25)16-3-9-20(10-4-16)28-21-13-7-18(8-14-21)24-22(26)23-17-5-11-19(27-2)12-6-17;1-25-19(29)18-12-17(10-11-26-18)31-15-6-2-13(3-7-15)27-20(30)28-14-4-8-16(9-5-14)32-21(22,23)24;1-14-2-8-17(9-3-14)28-18-10-4-15(5-11-18)25-20(27)26-16-6-12-19(13-7-16)29-21(22,23)24;1-14-2-10-18(11-3-14)25-19-12-8-17(9-13-19)23-20(24)22-16-6-4-15(21)5-7-16/h7,10-15,17H,3-6,8-9H2,1-2H3,(H2,30,31,34);5-6,9-12,15-16,18H,1-4,7-8,13-14H2,(H2,29,30,33);7-8,11-16,18H,3-6,9-10H2,1-2H3,(H2,29,30,33);6-7,10-15,17H,4-5,8-9H2,1-3H3,(H2,29,30,32);4-7,10-13,18,21H,3,8-9,14-15H2,1-2H3,(H2,24,25,27);2-7,10-11,18,20H,8-9,12-13H2,1H3,(H2,26,27,29);3-6,9-12,18,21H,7-8,13-14H2,1-2H3,(H2,23,24,26);4-5,8-13,15H,2-3,6-7H2,1H3,(H,25,29)(H2,27,28,30);2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,25,26,27);2-7,10-11,17,19H,8-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyFSCJFCVTPDAPNY-UHFFFAOYSA-N
MW4414.57 g/mol
LogP49.94
Rot. Bonds60

About 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 158125392) has the molecular formula C225H258Cl2F21N29O36 and a molecular weight of 4414.57 g/mol. Its IUPAC name is 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID158125392
Molecular FormulaC225H258Cl2F21N29O36
Molecular Weight4414.57 g/mol
Exact Mass4410.83
IUPAC Name1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1.CC(C)(C)OC(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.CCC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)cc1.CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1.CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.CNC(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.COc1ccc(NC(=O)NC2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)cc1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccnc(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C24H28ClF3N4O3.C24H27F3N4O4.C24H29F3N4O4.C24H28F3N3O5.C23H28N2O4.C22H23F3N2O3.C22H26N2O4.C21H23F3N4O4.C21H23F3N2O3.C20H23ClN2O2/c1-3-32(4-2)22(33)21-14-18(11-12-29-21)35-17-8-5-15(6-9-17)30-23(34)31-16-7-10-20(25)19(13-16)24(26,27)28;25-24(26,27)35-19-9-5-17(6-10-19)30-23(33)29-16-3-7-18(8-4-16)34-20-11-12-28-21(15-20)22(32)31-13-1-2-14-31;1-3-31(4-2)22(32)21-15-20(13-14-28-21)34-18-9-5-16(6-10-18)29-23(33)30-17-7-11-19(12-8-17)35-24(25,26)27;1-23(2,3)35-21(31)20-14-19(12-13-28-20)33-17-8-4-15(5-9-17)29-22(32)30-16-6-10-18(11-7-16)34-24(25,26)27;1-3-22(26)16-4-10-20(11-5-16)29-21-14-8-18(9-15-21)25-23(27)24-17-6-12-19(28-2)13-7-17;1-14(28)15-2-10-19(11-3-15)30-20-12-8-18(9-13-20)27-21(29)26-17-6-4-16(5-7-17)22(23,24)25;1-15(25)16-3-9-20(10-4-16)28-21-13-7-18(8-14-21)24-22(26)23-17-5-11-19(27-2)12-6-17;1-25-19(29)18-12-17(10-11-26-18)31-15-6-2-13(3-7-15)27-20(30)28-14-4-8-16(9-5-14)32-21(22,23)24;1-14-2-8-17(9-3-14)28-18-10-4-15(5-11-18)25-20(27)26-16-6-12-19(13-7-16)29-21(22,23)24;1-14-2-10-18(11-3-14)25-19-12-8-17(9-13-19)23-20(24)22-16-6-4-15(21)5-7-16/h7,10-15,17H,3-6,8-9H2,1-2H3,(H2,30,31,34);5-6,9-12,15-16,18H,1-4,7-8,13-14H2,(H2,29,30,33);7-8,11-16,18H,3-6,9-10H2,1-2H3,(H2,29,30,33);6-7,10-15,17H,4-5,8-9H2,1-3H3,(H2,29,30,32);4-7,10-13,18,21H,3,8-9,14-15H2,1-2H3,(H2,24,25,27);2-7,10-11,18,20H,8-9,12-13H2,1H3,(H2,26,27,29);3-6,9-12,18,21H,7-8,13-14H2,1-2H3,(H2,23,24,26);4-5,8-13,15H,2-3,6-7H2,1H3,(H,25,29)(H2,27,28,30);2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,25,26,27);2-7,10-11,17,19H,8-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyFSCJFCVTPDAPNY-UHFFFAOYSA-N
XLogP49.94
TPSA800.20 Ų
H-Bond Donors21
H-Bond Acceptors41
Rotatable Bonds60
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004414.57
LogP ≤ 549.94
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1041

Analyze 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 158125392) is 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea is CC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1.CC(C)(C)OC(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.CCC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)cc1.CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1.CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.CNC(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.COc1ccc(NC(=O)NC2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)cc1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccnc(C(=O)N3CCCC3)c2)CC1.
What is the InChIKey of 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is FSCJFCVTPDAPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF3N4O3.C24H27F3N4O4.C24H29F3N4O4.C24H28F3N3O5.C23H28N2O4.C22H23F3N2O3.C22H26N2O4.C21H23F3N4O4.C21H23F3N2O3.C20H23ClN2O2/c1-3-32(4-2)22(33)21-14-18(11-12-29-21)35-17-8-5-15(6-9-17)30-23(34)31-16-7-10-20(25)19(13-16)24(26,27)28;25-24(26,27)35-19-9-5-17(6-10-19)30-23(33)29-16-3-7-18(8-4-16)34-20-11-12-28-21(15-20)22(32)31-13-1-2-14-31;1-3-31(4-2)22(32)21-15-20(13-14-28-21)34-18-9-5-16(6-10-18)29-23(33)30-17-7-11-19(12-8-17)35-24(25,26)27;1-23(2,3)35-21(31)20-14-19(12-13-28-20)33-17-8-4-15(5-9-17)29-22(32)30-16-6-10-18(11-7-16)34-24(25,26)27;1-3-22(26)16-4-10-20(11-5-16)29-21-14-8-18(9-15-21)25-23(27)24-17-6-12-19(28-2)13-7-17;1-14(28)15-2-10-19(11-3-15)30-20-12-8-18(9-13-20)27-21(29)26-17-6-4-16(5-7-17)22(23,24)25;1-15(25)16-3-9-20(10-4-16)28-21-13-7-18(8-14-21)24-22(26)23-17-5-11-19(27-2)12-6-17;1-25-19(29)18-12-17(10-11-26-18)31-15-6-2-13(3-7-15)27-20(30)28-14-4-8-16(9-5-14)32-21(22,23)24;1-14-2-8-17(9-3-14)28-18-10-4-15(5-11-18)25-20(27)26-16-6-12-19(13-7-16)29-21(22,23)24;1-14-2-10-18(11-3-14)25-19-12-8-17(9-13-19)23-20(24)22-16-6-4-15(21)5-7-16/h7,10-15,17H,3-6,8-9H2,1-2H3,(H2,30,31,34);5-6,9-12,15-16,18H,1-4,7-8,13-14H2,(H2,29,30,33);7-8,11-16,18H,3-6,9-10H2,1-2H3,(H2,29,30,33);6-7,10-15,17H,4-5,8-9H2,1-3H3,(H2,29,30,32);4-7,10-13,18,21H,3,8-9,14-15H2,1-2H3,(H2,24,25,27);2-7,10-11,18,20H,8-9,12-13H2,1H3,(H2,26,27,29);3-6,9-12,18,21H,7-8,13-14H2,1-2H3,(H2,23,24,26);4-5,8-13,15H,2-3,6-7H2,1H3,(H,25,29)(H2,27,28,30);2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,25,26,27);2-7,10-11,17,19H,8-9,12-13H2,1H3,(H2,22,23,24).
What are the key properties of 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 4414.57 g/mol, XLogP of 49.94, 60 rotatable bonds, 21 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-methoxyphenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;tert-butyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxylate;1-(4-chlorophenyl)-3-[4-(4-methylphenoxy)cyclohexyl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-(4-methoxyphenyl)-3-[4-(4-propanoylphenoxy)cyclohexyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 158125392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).