N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide

C22H20F3N3O2 — CID 174310052

IUPACN-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
SMILESO=C(NO)c1ccc(CN(Cc2cccnc2)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)20-5-1-3-17(11-20)14-28(15-18-4-2-10-26-12-18)13-16-6-8-19(9-7-16)21(29)27-30/h1-12,30H,13-15H2,(H,27,29)
InChIKeyRHXNHEFTICHHNQ-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.42
Rot. Bonds7

About N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide

N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide (PubChem CID 174310052) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
PubChem CID174310052
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
SMILESO=C(NO)c1ccc(CN(Cc2cccnc2)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)20-5-1-3-17(11-20)14-28(15-18-4-2-10-26-12-18)13-16-6-8-19(9-7-16)21(29)27-30/h1-12,30H,13-15H2,(H,27,29)
InChIKeyRHXNHEFTICHHNQ-UHFFFAOYSA-N
XLogP4.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide (CID 174310052) is N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide is O=C(NO)c1ccc(CN(Cc2cccnc2)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
The InChIKey is RHXNHEFTICHHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)20-5-1-3-17(11-20)14-28(15-18-4-2-10-26-12-18)13-16-6-8-19(9-7-16)21(29)27-30/h1-12,30H,13-15H2,(H,27,29).
What are the key properties of N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide has a molecular weight of 415.42 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide is sourced from PubChem (CID 174310052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).