N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide

C15H15F3N2O3 — CID 70692203

IUPACN-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide
SMILESO=C(CCC1=CCN(Cc2cccc(C(F)(F)F)c2)C1=O)NO
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)12-3-1-2-10(8-12)9-20-7-6-11(14(20)22)4-5-13(21)19-23/h1-3,6,8,23H,4-5,7,9H2,(H,19,21)
InChIKeyOKWVWKAZWQAOKZ-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.26
Rot. Bonds5

About N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide

N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide (PubChem CID 70692203) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide
PubChem CID70692203
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC NameN-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide
SMILESO=C(CCC1=CCN(Cc2cccc(C(F)(F)F)c2)C1=O)NO
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)12-3-1-2-10(8-12)9-20-7-6-11(14(20)22)4-5-13(21)19-23/h1-3,6,8,23H,4-5,7,9H2,(H,19,21)
InChIKeyOKWVWKAZWQAOKZ-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.26
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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Related Compounds

N-hydroxy-3-[5-oxo-1-(3-phenylpropyl)-2H-pyrrol-4-yl]propanamide
CID 9947876
3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11150492
N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11162880
N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11185330
N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11208082
N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11231147
3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide
CID 11277337
3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide
CID 11334453
N-hydroxy-3-[6-oxo-1-(2-phenylethyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11403497
N-hydroxy-3-[1-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11448717
N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide
CID 11460011
N-hydroxy-3-[1-[3-(3-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11460846

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide (CID 70692203) is N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide is O=C(CCC1=CCN(Cc2cccc(C(F)(F)F)c2)C1=O)NO.
What is the InChIKey of N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide?
The InChIKey is OKWVWKAZWQAOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c16-15(17,18)12-3-1-2-10(8-12)9-20-7-6-11(14(20)22)4-5-13(21)19-23/h1-3,6,8,23H,4-5,7,9H2,(H,19,21).
What are the key properties of N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide has a molecular weight of 328.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 70692203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).