N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide

C20H18F6N2O3 — CID 87384322

IUPACN-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC(C)C(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H18F6N2O3/c1-10(2)16(11-3-5-12(6-4-11)18(30)28-31)27-17(29)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h3-10,16,31H,1-2H3,(H,27,29)(H,28,30)
InChIKeyFIDNUXDNXFZIPQ-UHFFFAOYSA-N
MW448.36 g/mol
LogP4.97
Rot. Bonds5

About N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide

N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 87384322) has the molecular formula C20H18F6N2O3 and a molecular weight of 448.36 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID87384322
Molecular FormulaC20H18F6N2O3
Molecular Weight448.36 g/mol
Exact Mass448.12
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC(C)C(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H18F6N2O3/c1-10(2)16(11-3-5-12(6-4-11)18(30)28-31)27-17(29)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h3-10,16,31H,1-2H3,(H,27,29)(H,28,30)
InChIKeyFIDNUXDNXFZIPQ-UHFFFAOYSA-N
XLogP4.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 54.97
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 N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide 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

4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide
CID 87383960
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 120705289
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 46828347
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
CID 58417663
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide
CID 58417181
N-[2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethyl]-4-(methylsulfonimidoyl)benzamide
CID 166397627
[(2S)-2-[[3,5-bis(trifluoromethyl)benzoyl]amino]propyl]-methyl-diphenylphosphanium
CID 162539902
N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide
CID 58417520
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide (CID 87384322) is N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide is CC(C)C(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is FIDNUXDNXFZIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O3/c1-10(2)16(11-3-5-12(6-4-11)18(30)28-31)27-17(29)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h3-10,16,31H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide?
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 448.36 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 87384322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).