N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide

C28H35F4NO2 — CID 91717117

IUPACN-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCN(C(=O)c1cc(F)ccc1F)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C28H35F4NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-33(27(34)23-19-21(29)14-16-25(23)31)28(35)24-20-22(30)15-17-26(24)32/h14-17,19-20H,2-13,18H2,1H3
InChIKeyFJGUTTKIYPTKMI-UHFFFAOYSA-N
MW493.59 g/mol
LogP8.23
Rot. Bonds15

About N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide

N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide (PubChem CID 91717117) has the molecular formula C28H35F4NO2 and a molecular weight of 493.59 g/mol. Its IUPAC name is N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide.

Molecular Properties

Compound NameN-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide
PubChem CID91717117
Molecular FormulaC28H35F4NO2
Molecular Weight493.59 g/mol
Exact Mass493.26
IUPAC NameN-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCN(C(=O)c1cc(F)ccc1F)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C28H35F4NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-33(27(34)23-19-21(29)14-16-25(23)31)28(35)24-20-22(30)15-17-26(24)32/h14-17,19-20H,2-13,18H2,1H3
InChIKeyFJGUTTKIYPTKMI-UHFFFAOYSA-N
XLogP8.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
CID 91717088
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
2,5-difluoro-N-undecylbenzamide
CID 91717430
heptadecyl 2,5-difluorobenzoate
CID 91723296
2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
CID 91730464
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026404
2,4-difluoro-N-hexyl-N-nonylaniline
CID 22637380
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide
CID 91732053
2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide
CID 91731924
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide?
The IUPAC name of N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide (CID 91717117) is N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide.
What is the SMILES notation for N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide?
The canonical SMILES for N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide is CCCCCCCCCCCCCCN(C(=O)c1cc(F)ccc1F)C(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide?
The InChIKey is FJGUTTKIYPTKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F4NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-33(27(34)23-19-21(29)14-16-25(23)31)28(35)24-20-22(30)15-17-26(24)32/h14-17,19-20H,2-13,18H2,1H3.
What are the key properties of N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide?
N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide has a molecular weight of 493.59 g/mol, XLogP of 8.23, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide is sourced from PubChem (CID 91717117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).