3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide

C19H22F5NO2 — CID 139682434

IUPAC3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide
SMILESCC(C=CCCCCCCOCc1c(F)c(F)c(F)c(F)c1F)=CC(N)=O
InChIInChI=1S/C19H22F5NO2/c1-12(10-14(25)26)8-6-4-2-3-5-7-9-27-11-13-15(20)17(22)19(24)18(23)16(13)21/h6,8,10H,2-5,7,9,11H2,1H3,(H2,25,26)
InChIKeyYUDIQAVPBJYDTJ-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.84
Rot. Bonds11

About 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide

3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide (PubChem CID 139682434) has the molecular formula C19H22F5NO2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide.

Molecular Properties

Compound Name3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide
PubChem CID139682434
Molecular FormulaC19H22F5NO2
Molecular Weight391.38 g/mol
Exact Mass391.16
IUPAC Name3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide
SMILESCC(C=CCCCCCCOCc1c(F)c(F)c(F)c(F)c1F)=CC(N)=O
InChIInChI=1S/C19H22F5NO2/c1-12(10-14(25)26)8-6-4-2-3-5-7-9-27-11-13-15(20)17(22)19(24)18(23)16(13)21/h6,8,10H,2-5,7,9,11H2,1H3,(H2,25,26)
InChIKeyYUDIQAVPBJYDTJ-UHFFFAOYSA-N
XLogP4.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide?
The IUPAC name of 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide (CID 139682434) is 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide.
What is the SMILES notation for 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide?
The canonical SMILES for 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide is CC(C=CCCCCCCOCc1c(F)c(F)c(F)c(F)c1F)=CC(N)=O.
What is the InChIKey of 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide?
The InChIKey is YUDIQAVPBJYDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F5NO2/c1-12(10-14(25)26)8-6-4-2-3-5-7-9-27-11-13-15(20)17(22)19(24)18(23)16(13)21/h6,8,10H,2-5,7,9,11H2,1H3,(H2,25,26).
What are the key properties of 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide?
3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide has a molecular weight of 391.38 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-11-[(2,3,4,5,6-pentafluorophenyl)methoxy]undeca-2,4-dienamide is sourced from PubChem (CID 139682434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).