N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide

C18H13F16NO — CID 5220192

IUPACN-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SMILESCCc1cccc(C)c1NC(=O)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/C18H13F16NO/c1-3-8-6-4-5-7(2)9(8)35-11(36)13(23,24)15(27,28)17(31,32)18(33,34)16(29,30)14(25,26)12(21,22)10(19)20/h4-6,10H,3H2,1-2H3,(H,35,36)
InChIKeyJNHWYQOLMBCFRA-UHFFFAOYSA-N
MW563.28 g/mol
LogP7.21
Rot. Bonds10

About N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide

N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide (PubChem CID 5220192) has the molecular formula C18H13F16NO and a molecular weight of 563.28 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
PubChem CID5220192
Molecular FormulaC18H13F16NO
Molecular Weight563.28 g/mol
Exact Mass563.07
IUPAC NameN-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SMILESCCc1cccc(C)c1NC(=O)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/C18H13F16NO/c1-3-8-6-4-5-7(2)9(8)35-11(36)13(23,24)15(27,28)17(31,32)18(33,34)16(29,30)14(25,26)12(21,22)10(19)20/h4-6,10H,3H2,1-2H3,(H,35,36)
InChIKeyJNHWYQOLMBCFRA-UHFFFAOYSA-N
XLogP7.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.28
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide 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,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108965978
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108512129
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N-(2-ethyl-6-methylphenyl)-N',N'-dipropyloxamide
CID 108512105
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968426
N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108512103
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide (CID 5220192) is N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide is CCc1cccc(C)c1NC(=O)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 N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The InChIKey is JNHWYQOLMBCFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F16NO/c1-3-8-6-4-5-7(2)9(8)35-11(36)13(23,24)15(27,28)17(31,32)18(33,34)16(29,30)14(25,26)12(21,22)10(19)20/h4-6,10H,3H2,1-2H3,(H,35,36).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide has a molecular weight of 563.28 g/mol, XLogP of 7.21, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide is sourced from PubChem (CID 5220192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).