4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide

C21H20F6N2O3 — CID 87383960

IUPAC4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide
SMILESCC(C)C(NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H20F6N2O3/c1-11(2)18(13-3-5-14(6-4-13)19(31)29-32)28-17(30)9-12-7-15(20(22,23)24)10-16(8-12)21(25,26)27/h3-8,10-11,18,32H,9H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyABNHSLRCNOMLLR-UHFFFAOYSA-N
MW462.39 g/mol
LogP4.90
Rot. Bonds6

About 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide

4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide (PubChem CID 87383960) has the molecular formula C21H20F6N2O3 and a molecular weight of 462.39 g/mol. Its IUPAC name is 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide
PubChem CID87383960
Molecular FormulaC21H20F6N2O3
Molecular Weight462.39 g/mol
Exact Mass462.14
IUPAC Name4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide
SMILESCC(C)C(NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H20F6N2O3/c1-11(2)18(13-3-5-14(6-4-13)19(31)29-32)28-17(30)9-12-7-15(20(22,23)24)10-16(8-12)21(25,26)27/h3-8,10-11,18,32H,9H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyABNHSLRCNOMLLR-UHFFFAOYSA-N
XLogP4.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.39
LogP ≤ 54.90
H-Bond Donors ≤ 53
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'}

Analyze 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide
CID 87384322
2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 120705289
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284667
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284669
2-(4-acetamidophenyl)-N-[1-(4-tert-butylphenyl)-2-methylpropyl]acetamide
CID 24685511
2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
CID 22370523
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide
CID 58417181
N-[(1R)-1-naphthalen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8025350
N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide
CID 58417520

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide?
The IUPAC name of 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide (CID 87383960) is 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide is CC(C)C(NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide?
The InChIKey is ABNHSLRCNOMLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O3/c1-11(2)18(13-3-5-14(6-4-13)19(31)29-32)28-17(30)9-12-7-15(20(22,23)24)10-16(8-12)21(25,26)27/h3-8,10-11,18,32H,9H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide?
4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide has a molecular weight of 462.39 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide is sourced from PubChem (CID 87383960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).