1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea

C111H124ClF12N15O14 — CID 158143480

IUPAC1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)cc1.N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccnc(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C24H27F3N4O4.C24H29F3N4O4.C22H25F3N2O2.C21H23F3N2O2.C20H20ClN3O2/c25-24(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;1-15-2-10-19(11-3-15)29-20-12-8-18(9-13-20)27-21(28)26-17-6-4-16(5-7-17)14-22(23,24)25;1-14-2-10-18(11-3-14)28-19-12-8-17(9-13-19)26-20(27)25-16-6-4-15(5-7-16)21(22,23)24;21-15-3-5-16(6-4-15)23-20(25)24-17-7-11-19(12-8-17)26-18-9-1-14(13-22)2-10-18/h5-6,9-12,15-16,18H,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);2-7,10-11,18,20H,8-9,12-14H2,1H3,(H2,26,27,28);2-7,10-11,17,19H,8-9,12-13H2,1H3,(H2,25,26,27);1-6,9-10,17,19H,7-8,11-12H2,(H2,23,24,25)
InChIKeyFUFQEGXJLFXXKG-UHFFFAOYSA-N
MW2155.73 g/mol
LogP25.56
Rot. Bonds27

About 1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 158143480) has the molecular formula C111H124ClF12N15O14 and a molecular weight of 2155.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID158143480
Molecular FormulaC111H124ClF12N15O14
Molecular Weight2155.73 g/mol
Exact Mass2153.89
IUPAC Name1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)cc1.N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccnc(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C24H27F3N4O4.C24H29F3N4O4.C22H25F3N2O2.C21H23F3N2O2.C20H20ClN3O2/c25-24(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;1-15-2-10-19(11-3-15)29-20-12-8-18(9-13-20)27-21(28)26-17-6-4-16(5-7-17)14-22(23,24)25;1-14-2-10-18(11-3-14)28-19-12-8-17(9-13-19)26-20(27)25-16-6-4-15(5-7-16)21(22,23)24;21-15-3-5-16(6-4-15)23-20(25)24-17-7-11-19(12-8-17)26-18-9-1-14(13-22)2-10-18/h5-6,9-12,15-16,18H,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);2-7,10-11,18,20H,8-9,12-14H2,1H3,(H2,26,27,28);2-7,10-11,17,19H,8-9,12-13H2,1H3,(H2,25,26,27);1-6,9-10,17,19H,7-8,11-12H2,(H2,23,24,25)
InChIKeyFUFQEGXJLFXXKG-UHFFFAOYSA-N
XLogP25.56
TPSA360.45 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002155.73
LogP ≤ 525.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;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-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 158143480) is 1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea is CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)cc1.N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(Cl)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-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is FUFQEGXJLFXXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O4.C24H29F3N4O4.C22H25F3N2O2.C21H23F3N2O2.C20H20ClN3O2/c25-24(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;1-15-2-10-19(11-3-15)29-20-12-8-18(9-13-20)27-21(28)26-17-6-4-16(5-7-17)14-22(23,24)25;1-14-2-10-18(11-3-14)28-19-12-8-17(9-13-19)26-20(27)25-16-6-4-15(5-7-16)21(22,23)24;21-15-3-5-16(6-4-15)23-20(25)24-17-7-11-19(12-8-17)26-18-9-1-14(13-22)2-10-18/h5-6,9-12,15-16,18H,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);2-7,10-11,18,20H,8-9,12-14H2,1H3,(H2,26,27,28);2-7,10-11,17,19H,8-9,12-13H2,1H3,(H2,25,26,27);1-6,9-10,17,19H,7-8,11-12H2,(H2,23,24,25).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 2155.73 g/mol, XLogP of 25.56, 27 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4-cyanophenoxy)cyclohexyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 158143480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).