4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide

C18H24F5NO — CID 173258469

IUPAC4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide
SMILESCCCCCCc1ccc(C(=O)NCCCC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C18H24F5NO/c1-2-3-4-5-7-14-8-10-15(11-9-14)16(25)24-13-6-12-17(19,20)18(21,22)23/h8-11H,2-7,12-13H2,1H3,(H,24,25)
InChIKeyRBAUOVZSSRAKAO-UHFFFAOYSA-N
MW365.39 g/mol
LogP5.52
Rot. Bonds10

About 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide

4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide (PubChem CID 173258469) has the molecular formula C18H24F5NO and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide.

Molecular Properties

Compound Name4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide
PubChem CID173258469
Molecular FormulaC18H24F5NO
Molecular Weight365.39 g/mol
Exact Mass365.18
IUPAC Name4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide
SMILESCCCCCCc1ccc(C(=O)NCCCC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C18H24F5NO/c1-2-3-4-5-7-14-8-10-15(11-9-14)16(25)24-13-6-12-17(19,20)18(21,22)23/h8-11H,2-7,12-13H2,1H3,(H,24,25)
InChIKeyRBAUOVZSSRAKAO-UHFFFAOYSA-N
XLogP5.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70894310
N-pentyl-4-propylbenzamide
CID 70894308
4-(chloromethyl)-N-hexylbenzamide
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N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 91126455
CID 131885807
CID 131885807
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
[[4-(dodecylcarbamoyl)phenyl]methyl-[(4-pentylphenyl)methyl]amino] acetate
CID 91504695
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide
CID 70023627
4-[3-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-dodecylbenzamide
CID 173223113
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide?
The IUPAC name of 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide (CID 173258469) is 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide.
What is the SMILES notation for 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide?
The canonical SMILES for 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide is CCCCCCc1ccc(C(=O)NCCCC(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide?
The InChIKey is RBAUOVZSSRAKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F5NO/c1-2-3-4-5-7-14-8-10-15(11-9-14)16(25)24-13-6-12-17(19,20)18(21,22)23/h8-11H,2-7,12-13H2,1H3,(H,24,25).
What are the key properties of 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide?
4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide has a molecular weight of 365.39 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide is sourced from PubChem (CID 173258469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).