N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide

C17H14Cl3F2NO4 — CID 27894841

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCOc1cc(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C17H14Cl3F2NO4/c1-25-15-4-9(2-3-13(15)27-17(21)22)7-23-16(24)8-26-14-6-11(19)10(18)5-12(14)20/h2-6,17H,7-8H2,1H3,(H,23,24)
InChIKeyMGWLNONTCHUKDT-UHFFFAOYSA-N
MW440.66 g/mol
LogP4.95
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 27894841) has the molecular formula C17H14Cl3F2NO4 and a molecular weight of 440.66 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID27894841
Molecular FormulaC17H14Cl3F2NO4
Molecular Weight440.66 g/mol
Exact Mass439.00
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCOc1cc(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C17H14Cl3F2NO4/c1-25-15-4-9(2-3-13(15)27-17(21)22)7-23-16(24)8-26-14-6-11(19)10(18)5-12(14)20/h2-6,17H,7-8H2,1H3,(H,23,24)
InChIKeyMGWLNONTCHUKDT-UHFFFAOYSA-N
XLogP4.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41498200
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 9261479
2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 9482433
2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261449
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41497799
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 26553804
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51117641
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213414
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]azanium
CID 8598976

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 27894841) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide is COc1cc(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is MGWLNONTCHUKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3F2NO4/c1-25-15-4-9(2-3-13(15)27-17(21)22)7-23-16(24)8-26-14-6-11(19)10(18)5-12(14)20/h2-6,17H,7-8H2,1H3,(H,23,24).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 440.66 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 27894841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).