(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide

C22H21F3N4O4 — CID 11294179

IUPAC(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C22H21F3N4O4/c23-22(24,25)21-27-17-3-1-2-4-18(17)29(21)11-13-5-7-14(8-6-13)19(30)26-16-9-10-33-12-15(16)20(31)28-32/h1-8,15-16,32H,9-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1
InChIKeyPGVYYPZKXKGBLD-JKSUJKDBSA-N
MW462.43 g/mol
LogP2.74
Rot. Bonds5

About (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide

(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide (PubChem CID 11294179) has the molecular formula C22H21F3N4O4 and a molecular weight of 462.43 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide
PubChem CID11294179
Molecular FormulaC22H21F3N4O4
Molecular Weight462.43 g/mol
Exact Mass462.15
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C22H21F3N4O4/c23-22(24,25)21-27-17-3-1-2-4-18(17)29(21)11-13-5-7-14(8-6-13)19(30)26-16-9-10-33-12-15(16)20(31)28-32/h1-8,15-16,32H,9-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1
InChIKeyPGVYYPZKXKGBLD-JKSUJKDBSA-N
XLogP2.74
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide (CID 11294179) is (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide is O=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide?
The InChIKey is PGVYYPZKXKGBLD-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H21F3N4O4/c23-22(24,25)21-27-17-3-1-2-4-18(17)29(21)11-13-5-7-14(8-6-13)19(30)26-16-9-10-33-12-15(16)20(31)28-32/h1-8,15-16,32H,9-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 11294179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).