ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate

C97H113F6N5O16 — CID 158192195

IUPACethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(C(C)C)ccc1COc1ccc(C)cc1C.CCOC(=O)Nc1cc(F)ccc1COc1ccc(C)cc1C.CCOC(=O)Nc1ccc(C(F)(F)F)cc1COc1ccc(C)cc1C.CCOC(=O)Nc1ccc(C(F)F)cc1COc1ccc(C)cc1C.CCOC(=O)Nc1ccc(OCC)cc1COc1ccc(C)cc1C
InChIInChI=1S/C21H27NO3.C20H25NO4.C19H20F3NO3.C19H21F2NO3.C18H20FNO3/c1-6-24-21(23)22-19-12-17(14(2)3)8-9-18(19)13-25-20-10-7-15(4)11-16(20)5;1-5-23-17-8-9-18(21-20(22)24-6-2)16(12-17)13-25-19-10-7-14(3)11-15(19)4;1-4-25-18(24)23-16-7-6-15(19(20,21)22)10-14(16)11-26-17-8-5-12(2)9-13(17)3;1-4-24-19(23)22-16-7-6-14(18(20)21)10-15(16)11-25-17-8-5-12(2)9-13(17)3;1-4-22-18(21)20-16-10-15(19)7-6-14(16)11-23-17-8-5-12(2)9-13(17)3/h7-12,14H,6,13H2,1-5H3,(H,22,23);7-12H,5-6,13H2,1-4H3,(H,21,22);5-10H,4,11H2,1-3H3,(H,23,24);5-10,18H,4,11H2,1-3H3,(H,22,23);5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyFZWYBSPIPLFWHI-UHFFFAOYSA-N
MW1718.98 g/mol
LogP25.87
Rot. Bonds29

About ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate

ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate (PubChem CID 158192195) has the molecular formula C97H113F6N5O16 and a molecular weight of 1718.98 g/mol. Its IUPAC name is ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate
PubChem CID158192195
Molecular FormulaC97H113F6N5O16
Molecular Weight1718.98 g/mol
Exact Mass1717.81
IUPAC Nameethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(C(C)C)ccc1COc1ccc(C)cc1C.CCOC(=O)Nc1cc(F)ccc1COc1ccc(C)cc1C.CCOC(=O)Nc1ccc(C(F)(F)F)cc1COc1ccc(C)cc1C.CCOC(=O)Nc1ccc(C(F)F)cc1COc1ccc(C)cc1C.CCOC(=O)Nc1ccc(OCC)cc1COc1ccc(C)cc1C
InChIInChI=1S/C21H27NO3.C20H25NO4.C19H20F3NO3.C19H21F2NO3.C18H20FNO3/c1-6-24-21(23)22-19-12-17(14(2)3)8-9-18(19)13-25-20-10-7-15(4)11-16(20)5;1-5-23-17-8-9-18(21-20(22)24-6-2)16(12-17)13-25-19-10-7-14(3)11-15(19)4;1-4-25-18(24)23-16-7-6-15(19(20,21)22)10-14(16)11-26-17-8-5-12(2)9-13(17)3;1-4-24-19(23)22-16-7-6-14(18(20)21)10-15(16)11-25-17-8-5-12(2)9-13(17)3;1-4-22-18(21)20-16-10-15(19)7-6-14(16)11-23-17-8-5-12(2)9-13(17)3/h7-12,14H,6,13H2,1-5H3,(H,22,23);7-12H,5-6,13H2,1-4H3,(H,21,22);5-10H,4,11H2,1-3H3,(H,23,24);5-10,18H,4,11H2,1-3H3,(H,22,23);5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyFZWYBSPIPLFWHI-UHFFFAOYSA-N
XLogP25.87
TPSA247.03 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001718.98
LogP ≤ 525.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate with MolForge

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Related Compounds

N-[5-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide;N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-5-ethenylphenyl]propanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]propanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]propanamide
CID 158734372
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039570
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
CID 129039211
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamothioate
CID 129039735
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate
CID 129039832
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]carbamate
CID 129039540
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 126515964
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate
CID 129039597
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
1-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515823
N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
CID 129039617

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate (CID 158192195) is ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate is CCOC(=O)Nc1cc(C(C)C)ccc1COc1ccc(C)cc1C.CCOC(=O)Nc1cc(F)ccc1COc1ccc(C)cc1C.CCOC(=O)Nc1ccc(C(F)(F)F)cc1COc1ccc(C)cc1C.CCOC(=O)Nc1ccc(C(F)F)cc1COc1ccc(C)cc1C.CCOC(=O)Nc1ccc(OCC)cc1COc1ccc(C)cc1C.
What is the InChIKey of ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is FZWYBSPIPLFWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3.C20H25NO4.C19H20F3NO3.C19H21F2NO3.C18H20FNO3/c1-6-24-21(23)22-19-12-17(14(2)3)8-9-18(19)13-25-20-10-7-15(4)11-16(20)5;1-5-23-17-8-9-18(21-20(22)24-6-2)16(12-17)13-25-19-10-7-14(3)11-15(19)4;1-4-25-18(24)23-16-7-6-15(19(20,21)22)10-14(16)11-26-17-8-5-12(2)9-13(17)3;1-4-24-19(23)22-16-7-6-14(18(20)21)10-15(16)11-25-17-8-5-12(2)9-13(17)3;1-4-22-18(21)20-16-10-15(19)7-6-14(16)11-23-17-8-5-12(2)9-13(17)3/h7-12,14H,6,13H2,1-5H3,(H,22,23);7-12H,5-6,13H2,1-4H3,(H,21,22);5-10H,4,11H2,1-3H3,(H,23,24);5-10,18H,4,11H2,1-3H3,(H,22,23);5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate?
ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 1718.98 g/mol, XLogP of 25.87, 29 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 158192195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).