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

C94H104ClF6N5O10 — CID 158734372

IUPACN-[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
SMILESC=Cc1ccc(COc2ccc(C)cc2C)c(NC(=O)CC)c1.CCC(=O)Nc1cc(Cl)ccc1COc1ccc(C)cc1C.CCC(=O)Nc1cc(F)ccc1COc1ccc(C)cc1C.CCC(=O)Nc1ccc(C(F)(F)F)cc1COc1ccc(C)cc1C.CCC(=O)Nc1ccc(C(F)F)cc1COc1ccc(C)cc1C
InChIInChI=1S/C20H23NO2.C19H20F3NO2.C19H21F2NO2.C18H20ClNO2.C18H20FNO2/c1-5-16-8-9-17(18(12-16)21-20(22)6-2)13-23-19-10-7-14(3)11-15(19)4;1-4-18(24)23-16-7-6-15(19(20,21)22)10-14(16)11-25-17-8-5-12(2)9-13(17)3;1-4-18(23)22-16-7-6-14(19(20)21)10-15(16)11-24-17-8-5-12(2)9-13(17)3;2*1-4-18(21)20-16-10-15(19)7-6-14(16)11-22-17-8-5-12(2)9-13(17)3/h5,7-12H,1,6,13H2,2-4H3,(H,21,22);5-10H,4,11H2,1-3H3,(H,23,24);5-10,19H,4,11H2,1-3H3,(H,22,23);2*5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyILMLKAGINXNSGE-UHFFFAOYSA-N
MW1613.33 g/mol
LogP24.55
Rot. Bonds27

About 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

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 (PubChem CID 158734372) has the molecular formula C94H104ClF6N5O10 and a molecular weight of 1613.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158734372
Molecular FormulaC94H104ClF6N5O10
Molecular Weight1613.33 g/mol
Exact Mass1611.74
IUPAC NameN-[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
SMILESC=Cc1ccc(COc2ccc(C)cc2C)c(NC(=O)CC)c1.CCC(=O)Nc1cc(Cl)ccc1COc1ccc(C)cc1C.CCC(=O)Nc1cc(F)ccc1COc1ccc(C)cc1C.CCC(=O)Nc1ccc(C(F)(F)F)cc1COc1ccc(C)cc1C.CCC(=O)Nc1ccc(C(F)F)cc1COc1ccc(C)cc1C
InChIInChI=1S/C20H23NO2.C19H20F3NO2.C19H21F2NO2.C18H20ClNO2.C18H20FNO2/c1-5-16-8-9-17(18(12-16)21-20(22)6-2)13-23-19-10-7-14(3)11-15(19)4;1-4-18(24)23-16-7-6-15(19(20,21)22)10-14(16)11-25-17-8-5-12(2)9-13(17)3;1-4-18(23)22-16-7-6-14(19(20)21)10-15(16)11-24-17-8-5-12(2)9-13(17)3;2*1-4-18(21)20-16-10-15(19)7-6-14(16)11-22-17-8-5-12(2)9-13(17)3/h5,7-12H,1,6,13H2,2-4H3,(H,21,22);5-10H,4,11H2,1-3H3,(H,23,24);5-10,19H,4,11H2,1-3H3,(H,22,23);2*5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyILMLKAGINXNSGE-UHFFFAOYSA-N
XLogP24.55
TPSA191.65 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001613.33
LogP ≤ 524.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 129054233
difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039570
N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethenylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]propanethioamide
CID 159615834
N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
CID 129039617
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
CID 129039211
N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039431
N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide
CID 129038856
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(COc2ccc(C)cc2C)c(NC(=O)CC)c1.CCC(=O)Nc1cc(Cl)ccc1COc1ccc(C)cc1C.CCC(=O)Nc1cc(F)ccc1COc1ccc(C)cc1C.CCC(=O)Nc1ccc(C(F)(F)F)cc1COc1ccc(C)cc1C.CCC(=O)Nc1ccc(C(F)F)cc1COc1ccc(C)cc1C.
What is the InChIKey of 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?
The InChIKey is ILMLKAGINXNSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.C19H20F3NO2.C19H21F2NO2.C18H20ClNO2.C18H20FNO2/c1-5-16-8-9-17(18(12-16)21-20(22)6-2)13-23-19-10-7-14(3)11-15(19)4;1-4-18(24)23-16-7-6-15(19(20,21)22)10-14(16)11-25-17-8-5-12(2)9-13(17)3;1-4-18(23)22-16-7-6-14(19(20)21)10-15(16)11-24-17-8-5-12(2)9-13(17)3;2*1-4-18(21)20-16-10-15(19)7-6-14(16)11-22-17-8-5-12(2)9-13(17)3/h5,7-12H,1,6,13H2,2-4H3,(H,21,22);5-10H,4,11H2,1-3H3,(H,23,24);5-10,19H,4,11H2,1-3H3,(H,22,23);2*5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 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?
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 has a molecular weight of 1613.33 g/mol, XLogP of 24.55, 27 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158734372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).