N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide

C17H19F3N2O3 — CID 52945781

IUPACN-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(CCc2ccc(C(F)(F)F)cc2)C1=O)NO
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)14-6-3-12(4-7-14)9-11-22-10-1-2-13(16(22)24)5-8-15(23)21-25/h2-4,6-7,25H,1,5,8-11H2,(H,21,23)
InChIKeyWSSAJNFNSCSXCQ-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.69
Rot. Bonds6

About N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide

N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide (PubChem CID 52945781) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide
PubChem CID52945781
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC NameN-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(CCc2ccc(C(F)(F)F)cc2)C1=O)NO
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)14-6-3-12(4-7-14)9-11-22-10-1-2-13(16(22)24)5-8-15(23)21-25/h2-4,6-7,25H,1,5,8-11H2,(H,21,23)
InChIKeyWSSAJNFNSCSXCQ-UHFFFAOYSA-N
XLogP2.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide?
The IUPAC name of N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide (CID 52945781) is N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide is O=C(CCC1=CCCN(CCc2ccc(C(F)(F)F)cc2)C1=O)NO.
What is the InChIKey of N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide?
The InChIKey is WSSAJNFNSCSXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c18-17(19,20)14-6-3-12(4-7-14)9-11-22-10-1-2-13(16(22)24)5-8-15(23)21-25/h2-4,6-7,25H,1,5,8-11H2,(H,21,23).
What are the key properties of N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide?
N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide has a molecular weight of 356.34 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 N-hydroxy-3-[6-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydropyridin-5-yl]propanamide is sourced from PubChem (CID 52945781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).