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

C28H29F10NO2 — CID 91731924

IUPAC2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C28H29F10NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-39(27(40)15-17(29)21(33)25(37)22(34)18(15)30)28(41)16-19(31)23(35)26(38)24(36)20(16)32/h2-14H2,1H3
InChIKeyPYEMXIOCVWQGRC-UHFFFAOYSA-N
MW601.53 g/mol
LogP9.06
Rot. Bonds15

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

2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide (PubChem CID 91731924) has the molecular formula C28H29F10NO2 and a molecular weight of 601.53 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide
PubChem CID91731924
Molecular FormulaC28H29F10NO2
Molecular Weight601.53 g/mol
Exact Mass601.20
IUPAC Name2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C28H29F10NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-39(27(40)15-17(29)21(33)25(37)22(34)18(15)30)28(41)16-19(31)23(35)26(38)24(36)20(16)32/h2-14H2,1H3
InChIKeyPYEMXIOCVWQGRC-UHFFFAOYSA-N
XLogP9.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.53
LogP ≤ 59.06
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-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide
CID 91732053
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-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide (CID 91731924) is 2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide is CCCCCCCCCCCCCCN(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-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide?
The InChIKey is PYEMXIOCVWQGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F10NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-39(27(40)15-17(29)21(33)25(37)22(34)18(15)30)28(41)16-19(31)23(35)26(38)24(36)20(16)32/h2-14H2,1H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide?
2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide has a molecular weight of 601.53 g/mol, XLogP of 9.06, 15 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-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide is sourced from PubChem (CID 91731924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).