2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide

C15H3Cl3F17NO — CID 2748510

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H3Cl3F17NO/c16-3-1-4(17)6(5(18)2-3)36-7(37)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)35/h1-2H,(H,36,37)
InChIKeyMIIMMLMHXYVLKR-UHFFFAOYSA-N
MW642.52 g/mol
LogP8.59
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide (PubChem CID 2748510) has the molecular formula C15H3Cl3F17NO and a molecular weight of 642.52 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide
PubChem CID2748510
Molecular FormulaC15H3Cl3F17NO
Molecular Weight642.52 g/mol
Exact Mass640.90
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H3Cl3F17NO/c16-3-1-4(17)6(5(18)2-3)36-7(37)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)35/h1-2H,(H,36,37)
InChIKeyMIIMMLMHXYVLKR-UHFFFAOYSA-N
XLogP8.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.52
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)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

2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672617
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide
CID 71672259
3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672117
N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 156646269
N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 118215209
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 5123869
N-(5-chloro-2-methoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 4165348
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
N-[4-chloro-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 91725178
N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3632427
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide (CID 2748510) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide?
The InChIKey is MIIMMLMHXYVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H3Cl3F17NO/c16-3-1-4(17)6(5(18)2-3)36-7(37)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)35/h1-2H,(H,36,37).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide has a molecular weight of 642.52 g/mol, XLogP of 8.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide is sourced from PubChem (CID 2748510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).