(E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide

C20H18F3N3O4 — CID 139382320

IUPAC(E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1CCN(Cc2cccc(OC(F)(F)F)c2)C1=O)NO
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)30-16-6-3-4-14(12-16)13-25-10-11-26(19(25)28)17-7-2-1-5-15(17)8-9-18(27)24-29/h1-9,12,29H,10-11,13H2,(H,24,27)/b9-8+
InChIKeyWZOSDDZJZNZKIN-CMDGGOBGSA-N
MW421.38 g/mol
LogP3.55
Rot. Bonds6

About (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide (PubChem CID 139382320) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide
PubChem CID139382320
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name(E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1CCN(Cc2cccc(OC(F)(F)F)c2)C1=O)NO
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)30-16-6-3-4-14(12-16)13-25-10-11-26(19(25)28)17-7-2-1-5-15(17)8-9-18(27)24-29/h1-9,12,29H,10-11,13H2,(H,24,27)/b9-8+
InChIKeyWZOSDDZJZNZKIN-CMDGGOBGSA-N
XLogP3.55
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[2-[2-oxo-4-[4-(trifluoromethoxy)phenyl]sulfinylpiperazin-1-yl]phenyl]prop-2-enamide
CID 166920874
(E)-3-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 71811463
3-fluoro-N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]benzamide
CID 46070442
(E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10321659
N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 91050731
1-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]-3-prop-2-enylurea
CID 46070834
1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 115512911
N-[3-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 46040743
2-(3-methoxyphenyl)-N-[3-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]acetamide
CID 46070023
2,4-difluoro-N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]benzamide
CID 46070456
(E)-N-hydroxy-3-[2-[4-[2-(trifluoromethoxy)phenyl]sulfanylpiperazin-1-yl]phenyl]prop-2-enamide
CID 145156888
3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-2,5-dione
CID 70101920

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide (CID 139382320) is (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1N1CCN(Cc2cccc(OC(F)(F)F)c2)C1=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide?
The InChIKey is WZOSDDZJZNZKIN-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c21-20(22,23)30-16-6-3-4-14(12-16)13-25-10-11-26(19(25)28)17-7-2-1-5-15(17)8-9-18(27)24-29/h1-9,12,29H,10-11,13H2,(H,24,27)/b9-8+.
What are the key properties of (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide has a molecular weight of 421.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 139382320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).