2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide

C21H11F16N3O — CID 5062321

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C21H11F16N3O/c22-13(23)15(24,25)17(28,29)19(32,33)21(36,37)20(34,35)18(30,31)16(26,27)14(41)38-10-6-8-12(9-7-10)40-39-11-4-2-1-3-5-11/h1-9,13H,(H,38,41)/b40-39+
InChIKeyPQPRYKADCSLOSS-XQQUEIPISA-N
MW625.31 g/mol
LogP8.75
Rot. Bonds11

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide (PubChem CID 5062321) has the molecular formula C21H11F16N3O and a molecular weight of 625.31 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide
PubChem CID5062321
Molecular FormulaC21H11F16N3O
Molecular Weight625.31 g/mol
Exact Mass625.06
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C21H11F16N3O/c22-13(23)15(24,25)17(28,29)19(32,33)21(36,37)20(34,35)18(30,31)16(26,27)14(41)38-10-6-8-12(9-7-10)40-39-11-4-2-1-3-5-11/h1-9,13H,(H,38,41)/b40-39+
InChIKeyPQPRYKADCSLOSS-XQQUEIPISA-N
XLogP8.75
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.31
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-anilinophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4120974
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
N-(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3513689
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
butyl 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoylamino)benzoate
CID 4108539
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-phenoxyphenyl)nonanamide
CID 4250486
N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 4099430
2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
CID 5180654
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-fluorophenyl)hexanamide
CID 3278706
2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide
CID 4521751
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide (CID 5062321) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide?
The InChIKey is PQPRYKADCSLOSS-XQQUEIPISA-N. The full InChI is InChI=1S/C21H11F16N3O/c22-13(23)15(24,25)17(28,29)19(32,33)21(36,37)20(34,35)18(30,31)16(26,27)14(41)38-10-6-8-12(9-7-10)40-39-11-4-2-1-3-5-11/h1-9,13H,(H,38,41)/b40-39+.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide has a molecular weight of 625.31 g/mol, XLogP of 8.75, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide is sourced from PubChem (CID 5062321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).