N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C23H17F7N2O3 — CID 46090566

IUPACN-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCOc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)n2)c1
InChIInChI=1S/C23H17F7N2O3/c1-34-15-9-10-19(35-2)16(12-15)18-8-4-7-17(32-18)13-5-3-6-14(11-13)31-20(33)21(24,25)22(26,27)23(28,29)30/h3-12H,1-2H3,(H,31,33)
InChIKeyYEXRTTNJEZXQNN-UHFFFAOYSA-N
MW502.39 g/mol
LogP6.20
Rot. Bonds7

About N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 46090566) has the molecular formula C23H17F7N2O3 and a molecular weight of 502.39 g/mol. Its IUPAC name is N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID46090566
Molecular FormulaC23H17F7N2O3
Molecular Weight502.39 g/mol
Exact Mass502.11
IUPAC NameN-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCOc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)n2)c1
InChIInChI=1S/C23H17F7N2O3/c1-34-15-9-10-19(35-2)16(12-15)18-8-4-7-17(32-18)13-5-3-6-14(11-13)31-20(33)21(24,25)22(26,27)23(28,29)30/h3-12H,1-2H3,(H,31,33)
InChIKeyYEXRTTNJEZXQNN-UHFFFAOYSA-N
XLogP6.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.39
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide
CID 46087670
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methoxyphenyl)nonanamide
CID 3510887
2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide
CID 4521751
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide
CID 4621112
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide
CID 42691756
2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide
CID 532100
N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 19177842
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 71476627
3-(2,5-dimethoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 121036272
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 46090566) is N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide is COc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)n2)c1.
What is the InChIKey of N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is YEXRTTNJEZXQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F7N2O3/c1-34-15-9-10-19(35-2)16(12-15)18-8-4-7-17(32-18)13-5-3-6-14(11-13)31-20(33)21(24,25)22(26,27)23(28,29)30/h3-12H,1-2H3,(H,31,33).
What are the key properties of N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 502.39 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 46090566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).