5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide

C12H15F3N2O2 — CID 81198138

IUPAC5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
SMILESNCCCCC(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-4-5-10(18)9(7-8)17-11(19)3-1-2-6-16/h4-5,7,18H,1-3,6,16H2,(H,17,19)
InChIKeyDUPFEWSSCIJAIM-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.48
Rot. Bonds5

About 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide

5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide (PubChem CID 81198138) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
PubChem CID81198138
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
SMILESNCCCCC(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-4-5-10(18)9(7-8)17-11(19)3-1-2-6-16/h4-5,7,18H,1-3,6,16H2,(H,17,19)
InChIKeyDUPFEWSSCIJAIM-UHFFFAOYSA-N
XLogP2.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972
N-(5-tert-butyl-2-hydroxyphenyl)tetradecanamide
CID 58819419
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
N-(5-tert-butyl-2-hydroxyphenyl)pentanamide
CID 29265334
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide
CID 166322824
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 119290966
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide
CID 47266829
4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81433885

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide (CID 81198138) is 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide is NCCCCC(=O)Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is DUPFEWSSCIJAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)8-4-5-10(18)9(7-8)17-11(19)3-1-2-6-16/h4-5,7,18H,1-3,6,16H2,(H,17,19).
What are the key properties of 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide?
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 276.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 81198138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).