2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine

C70H90Cl2F14N10O16 — CID 159659438

About 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine

2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine (PubChem CID 159659438) has the molecular formula C70H90Cl2F14N10O16 and a molecular weight of 1664.42 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine
• PubChem CID: 159659438
• Molecular Formula: C70H90Cl2F14N10O16
• Molecular Weight: 1664.42 g/mol
• Exact Mass: 1662.57
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine
• SMILES: CC1CCC(C(=O)NNC(=O)C2CC(OC(F)(F)F)C2)CC1.CC1CCC(C(=O)O)CC1.NC1CCC(c2nnc(C3CC(OC(F)(F)F)C3)o2)CC1.NNC(=O)C1CC(OC(F)(F)F)C1.O=C(COc1ccc(Cl)c(F)c1)NC1CCC(c2nnc(C3CC(OC(F)(F)F)C3)o2)CC1.O=C(O)COc1ccc(Cl)c(F)c1
• InChI: InChI=1S/C21H22ClF4N3O4.C14H21F3N2O3.C13H18F3N3O2.C8H6ClFO3.C8H14O2.C6H9F3N2O2/c22-16-6-5-14(9-17(16)23)31-10-18(30)27-13-3-1-11(2-4-13)19-28-29-20(32-19)12-7-15(8-12)33-21(24,25)26;1-8-2-4-9(5-3-8)12(20)18-19-13(21)10-6-11(7-10)22-14(15,16)17;14-13(15,16)21-10-5-8(6-10)12-19-18-11(20-12)7-1-3-9(17)4-2-7;9-6-2-1-5(3-7(6)10)13-4-8(11)12;1-6-2-4-7(5-3-6)8(9)10;7-6(8,9)13-4-1-3(2-4)5(12)11-10/h5-6,9,11-13,15H,1-4,7-8,10H2,(H,27,30);8-11H,2-7H2,1H3,(H,18,20)(H,19,21);7-10H,1-6,17H2;1-3H,4H2,(H,11,12);6-7H,2-5H2,1H3,(H,9,10);3-4H,1-2,10H2,(H,11,12)
• InChIKey: MSPNIUDRLUKYEE-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 376.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1664.42
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine (CID 159659438) is 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine is CC1CCC(C(=O)NNC(=O)C2CC(OC(F)(F)F)C2)CC1.CC1CCC(C(=O)O)CC1.NC1CCC(c2nnc(C3CC(OC(F)(F)F)C3)o2)CC1.NNC(=O)C1CC(OC(F)(F)F)C1.O=C(COc1ccc(Cl)c(F)c1)NC1CCC(c2nnc(C3CC(OC(F)(F)F)C3)o2)CC1.O=C(O)COc1ccc(Cl)c(F)c1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine?

The InChIKey is MSPNIUDRLUKYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF4N3O4.C14H21F3N2O3.C13H18F3N3O2.C8H6ClFO3.C8H14O2.C6H9F3N2O2/c22-16-6-5-14(9-17(16)23)31-10-18(30)27-13-3-1-11(2-4-13)19-28-29-20(32-19)12-7-15(8-12)33-21(24,25)26;1-8-2-4-9(5-3-8)12(20)18-19-13(21)10-6-11(7-10)22-14(15,16)17;14-13(15,16)21-10-5-8(6-10)12-19-18-11(20-12)7-1-3-9(17)4-2-7;9-6-2-1-5(3-7(6)10)13-4-8(11)12;1-6-2-4-7(5-3-6)8(9)10;7-6(8,9)13-4-1-3(2-4)5(12)11-10/h5-6,9,11-13,15H,1-4,7-8,10H2,(H,27,30);8-11H,2-7H2,1H3,(H,18,20)(H,19,21);7-10H,1-6,17H2;1-3H,4H2,(H,11,12);6-7H,2-5H2,1H3,(H,9,10);3-4H,1-2,10H2,(H,11,12).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine?

2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine has a molecular weight of 1664.42 g/mol, XLogP of 14.11, 19 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 159659438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).