N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide

C16H15F4N3O2 — CID 133338780

IUPACN,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide
SMILESCN(C)C(=O)COc1cccc(CNc2c(F)c(F)nc(F)c2F)c1
InChIInChI=1S/C16H15F4N3O2/c1-23(2)11(24)8-25-10-5-3-4-9(6-10)7-21-14-12(17)15(19)22-16(20)13(14)18/h3-6H,7-8H2,1-2H3,(H,21,22)
InChIKeyPMJWYPLCPIVUIR-UHFFFAOYSA-N
MW357.31 g/mol
LogP2.72
Rot. Bonds6

About N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide

N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide (PubChem CID 133338780) has the molecular formula C16H15F4N3O2 and a molecular weight of 357.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide
PubChem CID133338780
Molecular FormulaC16H15F4N3O2
Molecular Weight357.31 g/mol
Exact Mass357.11
IUPAC NameN,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide
SMILESCN(C)C(=O)COc1cccc(CNc2c(F)c(F)nc(F)c2F)c1
InChIInChI=1S/C16H15F4N3O2/c1-23(2)11(24)8-25-10-5-3-4-9(6-10)7-21-14-12(17)15(19)22-16(20)13(14)18/h3-6H,7-8H2,1-2H3,(H,21,22)
InChIKeyPMJWYPLCPIVUIR-UHFFFAOYSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methylamino]pyrazine-2-carboxylic acid
CID 122053124
N,N-dimethyl-2-[3-[(4-nitroanilino)methyl]phenoxy]acetamide
CID 52679230
N,N-dimethyl-2-[3-[[4-nitro-2-(trifluoromethyl)anilino]methyl]phenoxy]acetamide
CID 60579251
3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
CID 119283198
2-[3-[[(6-bromoquinazolin-4-yl)amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 87021134
2-[3-[[[N-[(3-fluoro-4-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide;hydroiodide
CID 111847078
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
2-[3-[[[N-ethyl-N'-[(3-fluorophenyl)methyl]carbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111877615
2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119712259
N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
CID 60507160
2-[3-[[[N-[2-(3-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide;hydroiodide
CID 111625679
N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
CID 60507418

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide (CID 133338780) is N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide is CN(C)C(=O)COc1cccc(CNc2c(F)c(F)nc(F)c2F)c1.
What is the InChIKey of N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide?
The InChIKey is PMJWYPLCPIVUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O2/c1-23(2)11(24)8-25-10-5-3-4-9(6-10)7-21-14-12(17)15(19)22-16(20)13(14)18/h3-6H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide?
N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide has a molecular weight of 357.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 133338780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).