2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

C19H20FN3O2 — CID 88883805

IUPAC2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESCc1cccc(N2C[C@@H]3C[C@H]2CN3c2ccc(C(=O)NO)c(F)c2)c1
InChIInChI=1S/C19H20FN3O2/c1-12-3-2-4-13(7-12)22-10-16-8-15(22)11-23(16)14-5-6-17(18(20)9-14)19(24)21-25/h2-7,9,15-16,25H,8,10-11H2,1H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyXFYBEGGGGVFCKB-HOTGVXAUSA-N
MW341.39 g/mol
LogP2.72
Rot. Bonds3

About 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (PubChem CID 88883805) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
PubChem CID88883805
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESCc1cccc(N2C[C@@H]3C[C@H]2CN3c2ccc(C(=O)NO)c(F)c2)c1
InChIInChI=1S/C19H20FN3O2/c1-12-3-2-4-13(7-12)22-10-16-8-15(22)11-23(16)14-5-6-17(18(20)9-14)19(24)21-25/h2-7,9,15-16,25H,8,10-11H2,1H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyXFYBEGGGGVFCKB-HOTGVXAUSA-N
XLogP2.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.72
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 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (CID 88883805) is 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is Cc1cccc(N2C[C@@H]3C[C@H]2CN3c2ccc(C(=O)NO)c(F)c2)c1.
What is the InChIKey of 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The InChIKey is XFYBEGGGGVFCKB-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-3-2-4-13(7-12)22-10-16-8-15(22)11-23(16)14-5-6-17(18(20)9-14)19(24)21-25/h2-7,9,15-16,25H,8,10-11H2,1H3,(H,21,24)/t15-,16-/m0/s1.
What are the key properties of 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-hydroxy-4-[(1S,4S)-5-(3-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is sourced from PubChem (CID 88883805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).