2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide

C18H10F10N2O2 — CID 2933145

IUPAC2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide
SMILESO=C(NCCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H10F10N2O2/c19-7-5(8(20)12(24)15(27)11(7)23)17(31)29-3-1-2-4-30-18(32)6-9(21)13(25)16(28)14(26)10(6)22/h1-4H2,(H,29,31)(H,30,32)
InChIKeySPALXISLAWNMGA-UHFFFAOYSA-N
MW476.27 g/mol
LogP4.02
Rot. Bonds7

About 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide

2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide (PubChem CID 2933145) has the molecular formula C18H10F10N2O2 and a molecular weight of 476.27 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide
PubChem CID2933145
Molecular FormulaC18H10F10N2O2
Molecular Weight476.27 g/mol
Exact Mass476.06
IUPAC Name2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide
SMILESO=C(NCCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H10F10N2O2/c19-7-5(8(20)12(24)15(27)11(7)23)17(31)29-3-1-2-4-30-18(32)6-9(21)13(25)16(28)14(26)10(6)22/h1-4H2,(H,29,31)(H,30,32)
InChIKeySPALXISLAWNMGA-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.27
LogP ≤ 54.02
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide (CID 2933145) is 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide is O=C(NCCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide?
The InChIKey is SPALXISLAWNMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F10N2O2/c19-7-5(8(20)12(24)15(27)11(7)23)17(31)29-3-1-2-4-30-18(32)6-9(21)13(25)16(28)14(26)10(6)22/h1-4H2,(H,29,31)(H,30,32).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide?
2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide has a molecular weight of 476.27 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]butyl]benzamide is sourced from PubChem (CID 2933145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).