8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide

C14H7ClF14N2O — CID 4102650

IUPAC8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide
SMILESCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)nc1
InChIInChI=1S/C14H7ClF14N2O/c1-5-2-3-6(30-4-5)31-7(32)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(15,28)29/h2-4H,1H3,(H,30,31,32)
InChIKeyFQLGWLJPEXMKGP-UHFFFAOYSA-N
MW520.65 g/mol
LogP5.97
Rot. Bonds8

About 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide

8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide (PubChem CID 4102650) has the molecular formula C14H7ClF14N2O and a molecular weight of 520.65 g/mol. Its IUPAC name is 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide.

Molecular Properties

Compound Name8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide
PubChem CID4102650
Molecular FormulaC14H7ClF14N2O
Molecular Weight520.65 g/mol
Exact Mass520.00
IUPAC Name8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide
SMILESCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)nc1
InChIInChI=1S/C14H7ClF14N2O/c1-5-2-3-6(30-4-5)31-7(32)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(15,28)29/h2-4H,1H3,(H,30,31,32)
InChIKeyFQLGWLJPEXMKGP-UHFFFAOYSA-N
XLogP5.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 55.97
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'}

Analyze 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide with MolForge

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Related Compounds

6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
CID 4613266
N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide
CID 144871417
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]nonanamide
CID 4183627
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
N-ethyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide
CID 144683469
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-fluorophenyl)hexanamide
CID 3278706
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide
CID 108530574
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
2-carbamothioyl-2-methyl-N-(5-methyl-2-pyridinyl)butanamide
CID 113270478
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide
CID 108528764

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide?
The IUPAC name of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide (CID 4102650) is 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide.
What is the SMILES notation for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide?
The canonical SMILES for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide is Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)nc1.
What is the InChIKey of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide?
The InChIKey is FQLGWLJPEXMKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF14N2O/c1-5-2-3-6(30-4-5)31-7(32)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(15,28)29/h2-4H,1H3,(H,30,31,32).
What are the key properties of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide?
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide has a molecular weight of 520.65 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide is sourced from PubChem (CID 4102650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).