N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide

C25H25F3N2O4 — CID 171777098

IUPACN-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide
SMILESO=C(NO)c1ccc(OCCNCC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H25F3N2O4/c26-25(27,28)20-8-12-22(13-9-20)34-23(18-4-2-1-3-5-18)14-15-29-16-17-33-21-10-6-19(7-11-21)24(31)30-32/h1-13,23,29,32H,14-17H2,(H,30,31)/t23-/m1/s1
InChIKeyXBXWAHFWUPHVOB-HSZRJFAPSA-N
MW474.48 g/mol
LogP5.00
Rot. Bonds11

About N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide

N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide (PubChem CID 171777098) has the molecular formula C25H25F3N2O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide
PubChem CID171777098
Molecular FormulaC25H25F3N2O4
Molecular Weight474.48 g/mol
Exact Mass474.18
IUPAC NameN-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide
SMILESO=C(NO)c1ccc(OCCNCC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H25F3N2O4/c26-25(27,28)20-8-12-22(13-9-20)34-23(18-4-2-1-3-5-18)14-15-29-16-17-33-21-10-6-19(7-11-21)24(31)30-32/h1-13,23,29,32H,14-17H2,(H,30,31)/t23-/m1/s1
InChIKeyXBXWAHFWUPHVOB-HSZRJFAPSA-N
XLogP5.00
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hydroxy-3-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]propanamide
CID 175586540
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
N-chloro-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54285023
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
3-phenyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 71664025
N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
CID 42633596
methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
CID 15940193
(3S)-3-(4-fluorophenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
CID 25016764
N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine
CID 11758740

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide?
The IUPAC name of N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide (CID 171777098) is N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide?
The canonical SMILES for N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide is O=C(NO)c1ccc(OCCNCC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide?
The InChIKey is XBXWAHFWUPHVOB-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25F3N2O4/c26-25(27,28)20-8-12-22(13-9-20)34-23(18-4-2-1-3-5-18)14-15-29-16-17-33-21-10-6-19(7-11-21)24(31)30-32/h1-13,23,29,32H,14-17H2,(H,30,31)/t23-/m1/s1.
What are the key properties of N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide?
N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide has a molecular weight of 474.48 g/mol, XLogP of 5.00, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide is sourced from PubChem (CID 171777098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).