9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide

C15H7ClF16N2O — CID 3484227

IUPAC9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide
SMILESO=C(NCc1ccccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C15H7ClF16N2O/c16-15(31,32)14(29,30)13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(35)34-5-6-3-1-2-4-33-6/h1-4H,5H2,(H,34,35)
InChIKeyYPWGZKANHIQCEC-UHFFFAOYSA-N
MW570.66 g/mol
LogP5.98
Rot. Bonds10

About 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide

9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide (PubChem CID 3484227) has the molecular formula C15H7ClF16N2O and a molecular weight of 570.66 g/mol. Its IUPAC name is 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide.

Molecular Properties

Compound Name9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide
PubChem CID3484227
Molecular FormulaC15H7ClF16N2O
Molecular Weight570.66 g/mol
Exact Mass570.00
IUPAC Name9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide
SMILESO=C(NCc1ccccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C15H7ClF16N2O/c16-15(31,32)14(29,30)13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(35)34-5-6-3-1-2-4-33-6/h1-4H,5H2,(H,34,35)
InChIKeyYPWGZKANHIQCEC-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.66
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
8-(benzylamino)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-oxooctanoic acid
CID 159927010
4,4,4-trifluoro-3-methyl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 123609120
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide?
The IUPAC name of 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide (CID 3484227) is 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide.
What is the SMILES notation for 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide?
The canonical SMILES for 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide is O=C(NCc1ccccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide?
The InChIKey is YPWGZKANHIQCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF16N2O/c16-15(31,32)14(29,30)13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(35)34-5-6-3-1-2-4-33-6/h1-4H,5H2,(H,34,35).
What are the key properties of 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide?
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide has a molecular weight of 570.66 g/mol, XLogP of 5.98, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide is sourced from PubChem (CID 3484227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).