methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate)

C112H120F12N6O20 — CID 159854975

About methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate)

methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate) (PubChem CID 159854975) has the molecular formula C112H120F12N6O20 and a molecular weight of 2098.19 g/mol. Its IUPAC name is methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate).

Molecular Properties

• Compound Name: methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate)
• PubChem CID: 159854975
• Molecular Formula: C112H120F12N6O20
• Molecular Weight: 2098.19 g/mol
• Exact Mass: 2096.84
• IUPAC Name: methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate)
• SMILES: CCOc1cccc(NC(=O)OC)c1COc1ccc(C)cc1C(F)F.CCc1cccc(NC(=O)OC)c1COc1ccc(C)cc1C(F)F.COC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C(F)F.COC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C(F)F.COC(=O)Nc1cccc(C2CC2)c1COc1ccc(C)cc1C(F)F.COC(=O)Nc1cccc(CO)c1COc1ccc(C)cc1C(F)F
• InChI: InChI=1S/C20H21F2NO3.C19H21F2NO4.C19H21F2NO3.C18H19F2NO4.2C18H19F2NO3/c1-12-6-9-18(15(10-12)19(21)22)26-11-16-14(13-7-8-13)4-3-5-17(16)23-20(24)25-2;1-4-25-16-7-5-6-15(22-19(23)24-3)14(16)11-26-17-9-8-12(2)10-13(17)18(20)21;1-4-13-6-5-7-16(22-19(23)24-3)15(13)11-25-17-9-8-12(2)10-14(17)18(20)21;1-11-6-7-16(13(8-11)17(19)20)25-10-14-12(9-22)4-3-5-15(14)21-18(23)24-2;2*1-11-7-8-16(13(9-11)17(19)20)24-10-14-12(2)5-4-6-15(14)21-18(22)23-3/h3-6,9-10,13,19H,7-8,11H2,1-2H3,(H,23,24);5-10,18H,4,11H2,1-3H3,(H,22,23);5-10,18H,4,11H2,1-3H3,(H,22,23);3-8,17,22H,9-10H2,1-2H3,(H,21,23);2*4-9,17H,10H2,1-3H3,(H,21,22)
• InChIKey: NQKJZBACDXAZEP-UHFFFAOYSA-N
• XLogP: 30.09
• TPSA: 314.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2098.19
LogP ≤ 5	30.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate)?

The IUPAC name of methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate) (CID 159854975) is methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate).

What is the SMILES notation for methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate)?

The canonical SMILES for methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate) is CCOc1cccc(NC(=O)OC)c1COc1ccc(C)cc1C(F)F.CCc1cccc(NC(=O)OC)c1COc1ccc(C)cc1C(F)F.COC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C(F)F.COC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C(F)F.COC(=O)Nc1cccc(C2CC2)c1COc1ccc(C)cc1C(F)F.COC(=O)Nc1cccc(CO)c1COc1ccc(C)cc1C(F)F.

What is the InChIKey of methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate)?

The InChIKey is NQKJZBACDXAZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3.C19H21F2NO4.C19H21F2NO3.C18H19F2NO4.2C18H19F2NO3/c1-12-6-9-18(15(10-12)19(21)22)26-11-16-14(13-7-8-13)4-3-5-17(16)23-20(24)25-2;1-4-25-16-7-5-6-15(22-19(23)24-3)14(16)11-26-17-9-8-12(2)10-13(17)18(20)21;1-4-13-6-5-7-16(22-19(23)24-3)15(13)11-25-17-9-8-12(2)10-14(17)18(20)21;1-11-6-7-16(13(8-11)17(19)20)25-10-14-12(9-22)4-3-5-15(14)21-18(23)24-2;2*1-11-7-8-16(13(9-11)17(19)20)24-10-14-12(2)5-4-6-15(14)21-18(22)23-3/h3-6,9-10,13,19H,7-8,11H2,1-2H3,(H,23,24);5-10,18H,4,11H2,1-3H3,(H,22,23);5-10,18H,4,11H2,1-3H3,(H,22,23);3-8,17,22H,9-10H2,1-2H3,(H,21,23);2*4-9,17H,10H2,1-3H3,(H,21,22).

What are the key properties of methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate)?

methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate) has a molecular weight of 2098.19 g/mol, XLogP of 30.09, 35 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate) is sourced from PubChem (CID 159854975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).