N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide

C17H15F3N2O3 — CID 155564712

IUPACN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
SMILESCCC(=O)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C17H15F3N2O3/c1-2-14(23)21-16(17(24)22-25)10-5-3-9(4-6-10)11-7-12(18)15(20)13(19)8-11/h3-8,16,25H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyXMGIMQXYRURXFW-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide

N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide (PubChem CID 155564712) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
PubChem CID155564712
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
SMILESCCC(=O)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C17H15F3N2O3/c1-2-14(23)21-16(17(24)22-25)10-5-3-9(4-6-10)11-7-12(18)15(20)13(19)8-11/h3-8,16,25H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyXMGIMQXYRURXFW-UHFFFAOYSA-N
XLogP2.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 127039573
1-N-ethyl-4-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 155514541
2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155524502
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide
CID 155523825
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127040209
N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127040211
N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127042096
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
CID 10125222
[4-(3,4,5-trifluorophenyl)phenyl]methanol
CID 57062577

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide?
The IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide (CID 155564712) is N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide.
What is the SMILES notation for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide?
The canonical SMILES for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide is CCC(=O)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide?
The InChIKey is XMGIMQXYRURXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-2-14(23)21-16(17(24)22-25)10-5-3-9(4-6-10)11-7-12(18)15(20)13(19)8-11/h3-8,16,25H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide?
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide has a molecular weight of 352.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 155564712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).