N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

C15H10F13NO3 — CID 19177842

IUPACN-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OC)c1
InChIInChI=1S/C15H10F13NO3/c1-31-6-3-4-7(8(5-6)32-2)29-9(30)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-5H,1-2H3,(H,29,30)
InChIKeyGAXNXUMTRMNYJT-UHFFFAOYSA-N
MW499.22 g/mol
LogP5.38
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (PubChem CID 19177842) has the molecular formula C15H10F13NO3 and a molecular weight of 499.22 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
PubChem CID19177842
Molecular FormulaC15H10F13NO3
Molecular Weight499.22 g/mol
Exact Mass499.05
IUPAC NameN-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OC)c1
InChIInChI=1S/C15H10F13NO3/c1-31-6-3-4-7(8(5-6)32-2)29-9(30)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-5H,1-2H3,(H,29,30)
InChIKeyGAXNXUMTRMNYJT-UHFFFAOYSA-N
XLogP5.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.22
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide with MolForge

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Related Compounds

2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 4102535
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methoxyphenyl)nonanamide
CID 3510887
1-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146006273
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 5172635
N-(2,4-dimethoxyphenyl)-2,2-diphenylpropanamide
CID 98656477
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967272
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide
CID 4621112

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (CID 19177842) is N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The InChIKey is GAXNXUMTRMNYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F13NO3/c1-31-6-3-4-7(8(5-6)32-2)29-9(30)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-5H,1-2H3,(H,29,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide has a molecular weight of 499.22 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is sourced from PubChem (CID 19177842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).