N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide

C24H20F3N3O3 — CID 73300939

IUPACN-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)C2Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)18-5-3-4-16(12-18)13-21-23(32)28-19-6-1-2-7-20(19)30(21)14-15-8-10-17(11-9-15)22(31)29-33/h1-12,21,33H,13-14H2,(H,28,32)(H,29,31)
InChIKeyWAIMOLOXMDNIKY-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.39
Rot. Bonds5

About N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide

N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide (PubChem CID 73300939) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
PubChem CID73300939
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC NameN-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)C2Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)18-5-3-4-16(12-18)13-21-23(32)28-19-6-1-2-7-20(19)30(21)14-15-8-10-17(11-9-15)22(31)29-33/h1-12,21,33H,13-14H2,(H,28,32)(H,29,31)
InChIKeyWAIMOLOXMDNIKY-UHFFFAOYSA-N
XLogP4.39
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
CID 73301337
3-[[(2R)-3-oxo-2-(thiophen-2-ylmethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzoic acid
CID 58916438
tert-butyl N-butyl-N-[(2R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]carbamate
CID 174550106
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34310983
N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 174310052
4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 71173465
2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21235070
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2010336
N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide
CID 88757956
2-[1-benzyl-3-methyl-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]-2H-indol-3-yl]acetic acid
CID 19796658

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide (CID 73300939) is N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide is O=C(NO)c1ccc(CN2c3ccccc3NC(=O)C2Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The InChIKey is WAIMOLOXMDNIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c25-24(26,27)18-5-3-4-16(12-18)13-21-23(32)28-19-6-1-2-7-20(19)30(21)14-15-8-10-17(11-9-15)22(31)29-33/h1-12,21,33H,13-14H2,(H,28,32)(H,29,31).
What are the key properties of N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide has a molecular weight of 455.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide is sourced from PubChem (CID 73300939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).