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

C15H13F4N3O — CID 133371036

IUPACN-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C15H13F4N3O/c1-7-4-3-5-8(2)12(7)21-9(23)6-20-13-10(16)14(18)22-15(19)11(13)17/h3-5H,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDPBHGQFEFLAPCL-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.31
Rot. Bonds4

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

N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide (PubChem CID 133371036) has the molecular formula C15H13F4N3O and a molecular weight of 327.28 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide
PubChem CID133371036
Molecular FormulaC15H13F4N3O
Molecular Weight327.28 g/mol
Exact Mass327.10
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C15H13F4N3O/c1-7-4-3-5-8(2)12(7)21-9(23)6-20-13-10(16)14(18)22-15(19)11(13)17/h3-5H,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDPBHGQFEFLAPCL-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
2-(2,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 54818107
2-(2,6-difluoroanilino)-N-(2-methylphenyl)acetamide
CID 28879023
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
CID 3925
N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
CID 51253129
N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7676848
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide (CID 133371036) is N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide is Cc1cccc(C)c1NC(=O)CNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide?
The InChIKey is DPBHGQFEFLAPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O/c1-7-4-3-5-8(2)12(7)21-9(23)6-20-13-10(16)14(18)22-15(19)11(13)17/h3-5H,6H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide?
N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide has a molecular weight of 327.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide is sourced from PubChem (CID 133371036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).