N-(2,3,4,5,6-pentafluorophenyl)undecanamide

C17H22F5NO — CID 3554716

IUPACN-(2,3,4,5,6-pentafluorophenyl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H22F5NO/c1-2-3-4-5-6-7-8-9-10-11(24)23-17-15(21)13(19)12(18)14(20)16(17)22/h2-10H2,1H3,(H,23,24)
InChIKeyYYBUWTVTSLDJDY-UHFFFAOYSA-N
MW351.36 g/mol
LogP5.85
Rot. Bonds10

About N-(2,3,4,5,6-pentafluorophenyl)undecanamide

N-(2,3,4,5,6-pentafluorophenyl)undecanamide (PubChem CID 3554716) has the molecular formula C17H22F5NO and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)undecanamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)undecanamide
PubChem CID3554716
Molecular FormulaC17H22F5NO
Molecular Weight351.36 g/mol
Exact Mass351.16
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H22F5NO/c1-2-3-4-5-6-7-8-9-10-11(24)23-17-15(21)13(19)12(18)14(20)16(17)22/h2-10H2,1H3,(H,23,24)
InChIKeyYYBUWTVTSLDJDY-UHFFFAOYSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.36
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2-amino-4,6-difluorophenyl)heptanamide
CID 114752030
N-(2-amino-4,6-difluorophenyl)octanamide
CID 81314143
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-decanoyldecanamide
CID 87914075

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)undecanamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)undecanamide (CID 3554716) is N-(2,3,4,5,6-pentafluorophenyl)undecanamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)undecanamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)undecanamide is CCCCCCCCCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)undecanamide?
The InChIKey is YYBUWTVTSLDJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F5NO/c1-2-3-4-5-6-7-8-9-10-11(24)23-17-15(21)13(19)12(18)14(20)16(17)22/h2-10H2,1H3,(H,23,24).
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)undecanamide?
N-(2,3,4,5,6-pentafluorophenyl)undecanamide has a molecular weight of 351.36 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)undecanamide is sourced from PubChem (CID 3554716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).