N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide

C22H18ClF2N3O4 — CID 71937273

IUPACN-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C22H18ClF2N3O4/c1-28(13-14-2-7-18(8-3-14)32-22(24)25)21(30)20(29)27-16-6-11-19(26-12-16)31-17-9-4-15(23)5-10-17/h2-12,22H,13H2,1H3,(H,27,29)
InChIKeyFMAHZOVOISJVHE-UHFFFAOYSA-N
MW461.85 g/mol
LogP4.73
Rot. Bonds7

About N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide

N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide (PubChem CID 71937273) has the molecular formula C22H18ClF2N3O4 and a molecular weight of 461.85 g/mol. Its IUPAC name is N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide
PubChem CID71937273
Molecular FormulaC22H18ClF2N3O4
Molecular Weight461.85 g/mol
Exact Mass461.10
IUPAC NameN-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C22H18ClF2N3O4/c1-28(13-14-2-7-18(8-3-14)32-22(24)25)21(30)20(29)27-16-6-11-19(26-12-16)31-17-9-4-15(23)5-10-17/h2-12,22H,13H2,1H3,(H,27,29)
InChIKeyFMAHZOVOISJVHE-UHFFFAOYSA-N
XLogP4.73
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea
CID 60603061
2-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 33142873
2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112778072
3-[4-(4-cyanophenoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60591675
5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide
CID 49285325
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60600941
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
3-[[6-(difluoromethoxy)-3-pyridinyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122093034
3-(difluoromethoxy)-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
CID 55713821
N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18274343

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide?
The IUPAC name of N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide (CID 71937273) is N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide.
What is the SMILES notation for N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide?
The canonical SMILES for N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide?
The InChIKey is FMAHZOVOISJVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N3O4/c1-28(13-14-2-7-18(8-3-14)32-22(24)25)21(30)20(29)27-16-6-11-19(26-12-16)31-17-9-4-15(23)5-10-17/h2-12,22H,13H2,1H3,(H,27,29).
What are the key properties of N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide?
N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide has a molecular weight of 461.85 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide is sourced from PubChem (CID 71937273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).