N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide

C19H20F3NO2 — CID 58949594

IUPACN-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
SMILESO=C(Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1)NO
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)17-8-4-3-7-16(17)6-2-1-5-14-9-11-15(12-10-14)13-18(24)23-25/h3-4,7-12,25H,1-2,5-6,13H2,(H,23,24)
InChIKeyPGSOKWJTRRIJSY-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.32
Rot. Bonds7

About N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide

N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide (PubChem CID 58949594) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
PubChem CID58949594
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
SMILESO=C(Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1)NO
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)17-8-4-3-7-16(17)6-2-1-5-14-9-11-15(12-10-14)13-18(24)23-25/h3-4,7-12,25H,1-2,5-6,13H2,(H,23,24)
InChIKeyPGSOKWJTRRIJSY-UHFFFAOYSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide (CID 58949594) is N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide is O=C(Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1)NO.
What is the InChIKey of N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
The InChIKey is PGSOKWJTRRIJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c20-19(21,22)17-8-4-3-7-16(17)6-2-1-5-14-9-11-15(12-10-14)13-18(24)23-25/h3-4,7-12,25H,1-2,5-6,13H2,(H,23,24).
What are the key properties of N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide is sourced from PubChem (CID 58949594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).