N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide

C22H15F3N2O4 — CID 25189866

IUPACN-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
SMILESCOc1cccc2c1Oc1ccc(C(F)(F)F)cc1N=C2c1ccc(C(=O)NO)cc1
InChIInChI=1S/C22H15F3N2O4/c1-30-18-4-2-3-15-19(12-5-7-13(8-6-12)21(28)27-29)26-16-11-14(22(23,24)25)9-10-17(16)31-20(15)18/h2-11,29H,1H3,(H,27,28)
InChIKeyZGKYIKURSJMNJC-UHFFFAOYSA-N
MW428.37 g/mol
LogP5.11
Rot. Bonds3

About N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide

N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide (PubChem CID 25189866) has the molecular formula C22H15F3N2O4 and a molecular weight of 428.37 g/mol. Its IUPAC name is N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
PubChem CID25189866
Molecular FormulaC22H15F3N2O4
Molecular Weight428.37 g/mol
Exact Mass428.10
IUPAC NameN-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
SMILESCOc1cccc2c1Oc1ccc(C(F)(F)F)cc1N=C2c1ccc(C(=O)NO)cc1
InChIInChI=1S/C22H15F3N2O4/c1-30-18-4-2-3-15-19(12-5-7-13(8-6-12)21(28)27-29)26-16-11-14(22(23,24)25)9-10-17(16)31-20(15)18/h2-11,29H,1H3,(H,27,28)
InChIKeyZGKYIKURSJMNJC-UHFFFAOYSA-N
XLogP5.11
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.37
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide?
The IUPAC name of N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide (CID 25189866) is N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide is COc1cccc2c1Oc1ccc(C(F)(F)F)cc1N=C2c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide?
The InChIKey is ZGKYIKURSJMNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O4/c1-30-18-4-2-3-15-19(12-5-7-13(8-6-12)21(28)27-29)26-16-11-14(22(23,24)25)9-10-17(16)31-20(15)18/h2-11,29H,1H3,(H,27,28).
What are the key properties of N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide?
N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide has a molecular weight of 428.37 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[10-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide is sourced from PubChem (CID 25189866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).