methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate

C109H106BrClF19IN6O18 — CID 159792954

About methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate

methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate (PubChem CID 159792954) has the molecular formula C109H106BrClF19IN6O18 and a molecular weight of 2391.29 g/mol. Its IUPAC name is methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
• PubChem CID: 159792954
• Molecular Formula: C109H106BrClF19IN6O18
• Molecular Weight: 2391.29 g/mol
• Exact Mass: 2388.52
• IUPAC Name: methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
• SMILES: COC(=O)Nc1cccc(Br)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1cccc(C)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1cccc(Cl)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1cccc(F)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1cccc(I)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1ccccc1COc1cc(C)c(C)cc1C(F)(F)F
• InChI: InChI=1S/C19H20F3NO3.C18H17BrF3NO3.C18H17ClF3NO3.C18H17F4NO3.C18H17F3INO3.C18H18F3NO3/c1-11-6-5-7-16(23-18(24)25-4)14(11)10-26-17-9-13(3)12(2)8-15(17)19(20,21)22;3*1-10-7-13(18(20,21)22)16(8-11(10)2)26-9-12-14(19)5-4-6-15(12)23-17(24)25-3;1-10-7-13(18(19,20)21)16(8-11(10)2)26-9-12-14(22)5-4-6-15(12)23-17(24)25-3;1-11-8-14(18(19,20)21)16(9-12(11)2)25-10-13-6-4-5-7-15(13)22-17(23)24-3/h5-9H,10H2,1-4H3,(H,23,24);4*4-8H,9H2,1-3H3,(H,23,24);4-9H,10H2,1-3H3,(H,22,23)
• InChIKey: NIUMZTAOYDHJPF-UHFFFAOYSA-N
• XLogP: 32.95
• TPSA: 285.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2391.29
LogP ≤ 5	32.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate?

The IUPAC name of methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate (CID 159792954) is methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate.

What is the SMILES notation for methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate?

The canonical SMILES for methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate is COC(=O)Nc1cccc(Br)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1cccc(C)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1cccc(Cl)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1cccc(F)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1cccc(I)c1COc1cc(C)c(C)cc1C(F)(F)F.COC(=O)Nc1ccccc1COc1cc(C)c(C)cc1C(F)(F)F.

What is the InChIKey of methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate?

The InChIKey is NIUMZTAOYDHJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3.C18H17BrF3NO3.C18H17ClF3NO3.C18H17F4NO3.C18H17F3INO3.C18H18F3NO3/c1-11-6-5-7-16(23-18(24)25-4)14(11)10-26-17-9-13(3)12(2)8-15(17)19(20,21)22;3*1-10-7-13(18(20,21)22)16(8-11(10)2)26-9-12-14(19)5-4-6-15(12)23-17(24)25-3;1-10-7-13(18(19,20)21)16(8-11(10)2)26-9-12-14(22)5-4-6-15(12)23-17(24)25-3;1-11-8-14(18(19,20)21)16(9-12(11)2)25-10-13-6-4-5-7-15(13)22-17(23)24-3/h5-9H,10H2,1-4H3,(H,23,24);4*4-8H,9H2,1-3H3,(H,23,24);4-9H,10H2,1-3H3,(H,22,23).

What are the key properties of methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate?

methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate has a molecular weight of 2391.29 g/mol, XLogP of 32.95, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate is sourced from PubChem (CID 159792954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).