5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide

C12H14F3NO3 — CID 79198633

IUPAC5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
SMILESO=C(CCCCO)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)19-10-6-4-9(5-7-10)16-11(18)3-1-2-8-17/h4-7,17H,1-3,8H2,(H,16,18)
InChIKeyNTNXMNDBOTVFCH-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.69
Rot. Bonds6

About 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide

5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide (PubChem CID 79198633) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
PubChem CID79198633
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
SMILESO=C(CCCCO)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)19-10-6-4-9(5-7-10)16-11(18)3-1-2-8-17/h4-7,17H,1-3,8H2,(H,16,18)
InChIKeyNTNXMNDBOTVFCH-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
6,8-bis(sulfanyl)-N-[4-(trifluoromethoxy)phenyl]octanamide
CID 46871092
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5010640
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide (CID 79198633) is 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide is O=C(CCCCO)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The InChIKey is NTNXMNDBOTVFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c13-12(14,15)19-10-6-4-9(5-7-10)16-11(18)3-1-2-8-17/h4-7,17H,1-3,8H2,(H,16,18).
What are the key properties of 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide?
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide has a molecular weight of 277.24 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 79198633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).