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

C18H12F17NO4 — CID 3350275

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide
SMILESCOc1cc(NC(=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)F)cc(OC)c1OC
InChIInChI=1S/C18H12F17NO4/c1-38-7-4-6(5-8(39-2)9(7)40-3)36-10(37)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h4-5H,1-3H3,(H,36,37)
InChIKeyWVCJQGWSGGJZLY-UHFFFAOYSA-N
MW629.26 g/mol
LogP6.66
Rot. Bonds11

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide (PubChem CID 3350275) has the molecular formula C18H12F17NO4 and a molecular weight of 629.26 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-(3,4,5-trimethoxyphenyl)nonanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide
PubChem CID3350275
Molecular FormulaC18H12F17NO4
Molecular Weight629.26 g/mol
Exact Mass629.05
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide
SMILESCOc1cc(NC(=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)F)cc(OC)c1OC
InChIInChI=1S/C18H12F17NO4/c1-38-7-4-6(5-8(39-2)9(7)40-3)36-10(37)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h4-5H,1-3H3,(H,36,37)
InChIKeyWVCJQGWSGGJZLY-UHFFFAOYSA-N
XLogP6.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.26
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,4,5-trimethoxyphenyl)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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide
CID 103732227
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methoxyphenyl)nonanamide
CID 3510887
N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 19177842
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
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987472
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide
CID 4621112
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108960828
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 79346258
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390

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-(3,4,5-trimethoxyphenyl)nonanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide (CID 3350275) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)nonanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide is COc1cc(NC(=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)F)cc(OC)c1OC.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide?
The InChIKey is WVCJQGWSGGJZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F17NO4/c1-38-7-4-6(5-8(39-2)9(7)40-3)36-10(37)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h4-5H,1-3H3,(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-(3,4,5-trimethoxyphenyl)nonanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide has a molecular weight of 629.26 g/mol, XLogP of 6.66, 11 rotatable bonds, 1 hydrogen bond donors, and 4 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-(3,4,5-trimethoxyphenyl)nonanamide is sourced from PubChem (CID 3350275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).