N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide

C23H25F3N2O5 — CID 171353147

IUPACN-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
SMILESO=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H25F3N2O5/c24-23(25,26)22(32,33)21(31)27-15-7-2-1-6-10-19(29)28-18-13-11-17(12-14-18)20(30)16-8-4-3-5-9-16/h3-5,8-9,11-14,32-33H,1-2,6-7,10,15H2,(H,27,31)(H,28,29)
InChIKeyFZPMUVGXDFQPHE-UHFFFAOYSA-N
MW466.46 g/mol
LogP3.17
Rot. Bonds11

About N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide

N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide (PubChem CID 171353147) has the molecular formula C23H25F3N2O5 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
PubChem CID171353147
Molecular FormulaC23H25F3N2O5
Molecular Weight466.46 g/mol
Exact Mass466.17
IUPAC NameN-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
SMILESO=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H25F3N2O5/c24-23(25,26)22(32,33)21(31)27-15-7-2-1-6-10-19(29)28-18-13-11-17(12-14-18)20(30)16-8-4-3-5-9-16/h3-5,8-9,11-14,32-33H,1-2,6-7,10,15H2,(H,27,31)(H,28,29)
InChIKeyFZPMUVGXDFQPHE-UHFFFAOYSA-N
XLogP3.17
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide?
The IUPAC name of N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide (CID 171353147) is N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide.
What is the SMILES notation for N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide?
The canonical SMILES for N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide is O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide?
The InChIKey is FZPMUVGXDFQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O5/c24-23(25,26)22(32,33)21(31)27-15-7-2-1-6-10-19(29)28-18-13-11-17(12-14-18)20(30)16-8-4-3-5-9-16/h3-5,8-9,11-14,32-33H,1-2,6-7,10,15H2,(H,27,31)(H,28,29).
What are the key properties of N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide?
N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide has a molecular weight of 466.46 g/mol, XLogP of 3.17, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide is sourced from PubChem (CID 171353147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).