N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide

C15H19F3N2O2 — CID 70069905

IUPACN-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide
SMILESNc1ccc(NC(=O)CCCCCCC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)13(21)5-3-1-2-4-6-14(22)20-12-9-7-11(19)8-10-12/h7-10H,1-6,19H2,(H,20,22)
InChIKeyBLQSSIULAFOGDY-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.68
Rot. Bonds8

About N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide

N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide (PubChem CID 70069905) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide
PubChem CID70069905
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide
SMILESNc1ccc(NC(=O)CCCCCCC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)13(21)5-3-1-2-4-6-14(22)20-12-9-7-11(19)8-10-12/h7-10H,1-6,19H2,(H,20,22)
InChIKeyBLQSSIULAFOGDY-UHFFFAOYSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 90390735
N-(4-aminophenyl)-4-methylsulfinylbutanamide
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CID 106200083
N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82789395
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
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CID 61289162

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide?
The IUPAC name of N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide (CID 70069905) is N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide.
What is the SMILES notation for N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide?
The canonical SMILES for N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide is Nc1ccc(NC(=O)CCCCCCC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide?
The InChIKey is BLQSSIULAFOGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)13(21)5-3-1-2-4-6-14(22)20-12-9-7-11(19)8-10-12/h7-10H,1-6,19H2,(H,20,22).
What are the key properties of N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide?
N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide has a molecular weight of 316.32 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide is sourced from PubChem (CID 70069905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).