2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide

C20H13F10NO2 — CID 91732053

IUPAC2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide
SMILESCCCCCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H13F10NO2/c1-2-3-4-5-6-31(19(32)7-9(21)13(25)17(29)14(26)10(7)22)20(33)8-11(23)15(27)18(30)16(28)12(8)24/h2-6H2,1H3
InChIKeyXNWDAVYFOCAMLC-UHFFFAOYSA-N
MW489.31 g/mol
LogP5.94
Rot. Bonds7

About 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide

2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide (PubChem CID 91732053) has the molecular formula C20H13F10NO2 and a molecular weight of 489.31 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide
PubChem CID91732053
Molecular FormulaC20H13F10NO2
Molecular Weight489.31 g/mol
Exact Mass489.08
IUPAC Name2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide
SMILESCCCCCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H13F10NO2/c1-2-3-4-5-6-31(19(32)7-9(21)13(25)17(29)14(26)10(7)22)20(33)8-11(23)15(27)18(30)16(28)12(8)24/h2-6H2,1H3
InChIKeyXNWDAVYFOCAMLC-UHFFFAOYSA-N
XLogP5.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.31
LogP ≤ 55.94
H-Bond Donors ≤ 50
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide
CID 91731924
N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
CID 63754248
2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
CID 91730464
N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide
CID 91717117
N-acetyl-N-decylacetamide
CID 57029087
2,3,4-trifluoro-6-heptyl-5-octylbenzamide
CID 57359754
2,3,4,5,6-pentafluoro-N-nonadecyl-N-octadecylaniline
CID 175415242
2,3,4,5-tetrafluoro-6-heptylbenzoic acid
CID 22465875
1,3-diheptyl-1-(hexylcarbamoyl)urea
CID 89190547
N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide
CID 60722923
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
1-(2,3,4,5,6-pentafluorophenyl)non-2-yn-1-one
CID 24773081

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide (CID 91732053) is 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide is CCCCCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide?
The InChIKey is XNWDAVYFOCAMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F10NO2/c1-2-3-4-5-6-31(19(32)7-9(21)13(25)17(29)14(26)10(7)22)20(33)8-11(23)15(27)18(30)16(28)12(8)24/h2-6H2,1H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide?
2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide has a molecular weight of 489.31 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide is sourced from PubChem (CID 91732053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).