4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide

C13H5F5INO — CID 78909417

IUPAC4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(I)cc1
InChIInChI=1S/C13H5F5INO/c14-7-8(15)10(17)12(11(18)9(7)16)20-13(21)5-1-3-6(19)4-2-5/h1-4H,(H,20,21)
InChIKeyJQLKEDMTGGUOMS-UHFFFAOYSA-N
MW413.08 g/mol
LogP4.24
Rot. Bonds2

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

4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide (PubChem CID 78909417) has the molecular formula C13H5F5INO and a molecular weight of 413.08 g/mol. Its IUPAC name is 4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
PubChem CID78909417
Molecular FormulaC13H5F5INO
Molecular Weight413.08 g/mol
Exact Mass412.93
IUPAC Name4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(I)cc1
InChIInChI=1S/C13H5F5INO/c14-7-8(15)10(17)12(11(18)9(7)16)20-13(21)5-1-3-6(19)4-2-5/h1-4H,(H,20,21)
InChIKeyJQLKEDMTGGUOMS-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.08
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 63525460
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 60712444
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 86708437
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641222
N-(3-fluoro-2-pyridinyl)-4-iodobenzamide
CID 118465276
4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide
CID 121062019
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The IUPAC name of 4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide (CID 78909417) is 4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide.
What is the SMILES notation for 4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The canonical SMILES for 4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide is O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The InChIKey is JQLKEDMTGGUOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F5INO/c14-7-8(15)10(17)12(11(18)9(7)16)20-13(21)5-1-3-6(19)4-2-5/h1-4H,(H,20,21).
What are the key properties of 4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide has a molecular weight of 413.08 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide is sourced from PubChem (CID 78909417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).