N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide

C20H12F3N3O3 — CID 150241776

IUPACN-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide
SMILESO=C(NO)c1ccc(-c2cc3c(nc2C(F)(F)F)Oc2ccccc2C=N3)cc1
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)17-14(11-5-7-12(8-6-11)18(27)26-28)9-15-19(25-17)29-16-4-2-1-3-13(16)10-24-15/h1-10,28H,(H,26,27)
InChIKeyFXRHYMGAGWERRW-UHFFFAOYSA-N
MW399.33 g/mol
LogP4.74
Rot. Bonds2

About N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide

N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide (PubChem CID 150241776) has the molecular formula C20H12F3N3O3 and a molecular weight of 399.33 g/mol. Its IUPAC name is N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide
PubChem CID150241776
Molecular FormulaC20H12F3N3O3
Molecular Weight399.33 g/mol
Exact Mass399.08
IUPAC NameN-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide
SMILESO=C(NO)c1ccc(-c2cc3c(nc2C(F)(F)F)Oc2ccccc2C=N3)cc1
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)17-14(11-5-7-12(8-6-11)18(27)26-28)9-15-19(25-17)29-16-4-2-1-3-13(16)10-24-15/h1-10,28H,(H,26,27)
InChIKeyFXRHYMGAGWERRW-UHFFFAOYSA-N
XLogP4.74
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.74
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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Related Compounds

N-hydroxy-4-[9-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
CID 25189800
N-hydroxy-4-[2-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
CID 25189604
N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide
CID 25189456
4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide
CID 151298212
4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide
CID 25189741
N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 76780212
2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129283536
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide
CID 25189920
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 88850560
4-[3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzoic acid
CID 67007559
N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide
CID 25189602

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide?
The IUPAC name of N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide (CID 150241776) is N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide is O=C(NO)c1ccc(-c2cc3c(nc2C(F)(F)F)Oc2ccccc2C=N3)cc1.
What is the InChIKey of N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide?
The InChIKey is FXRHYMGAGWERRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O3/c21-20(22,23)17-14(11-5-7-12(8-6-11)18(27)26-28)9-15-19(25-17)29-16-4-2-1-3-13(16)10-24-15/h1-10,28H,(H,26,27).
What are the key properties of N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide?
N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide has a molecular weight of 399.33 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide is sourced from PubChem (CID 150241776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).