3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide

C13H13F2N7O2 — CID 167923361

IUPAC3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide
SMILES[N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)N[C@@H]2CC(F)(F)C[C@H]2O)c1
InChIInChI=1S/C13H13F2N7O2/c14-13(15)4-10(11(23)5-13)19-12(24)8-1-7(6-18-21-16)2-9(3-8)20-22-17/h1-3,10-11,23H,4-6H2,(H,19,24)/t10-,11-/m1/s1
InChIKeyBVHROYCATDXZBE-GHMZBOCLSA-N
MW337.29 g/mol
LogP3.33
Rot. Bonds5

About 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide

3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide (PubChem CID 167923361) has the molecular formula C13H13F2N7O2 and a molecular weight of 337.29 g/mol. Its IUPAC name is 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide.

Molecular Properties

Compound Name3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide
PubChem CID167923361
Molecular FormulaC13H13F2N7O2
Molecular Weight337.29 g/mol
Exact Mass337.11
IUPAC Name3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide
SMILES[N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)N[C@@H]2CC(F)(F)C[C@H]2O)c1
InChIInChI=1S/C13H13F2N7O2/c14-13(15)4-10(11(23)5-13)19-12(24)8-1-7(6-18-21-16)2-9(3-8)20-22-17/h1-3,10-11,23H,4-6H2,(H,19,24)/t10-,11-/m1/s1
InChIKeyBVHROYCATDXZBE-GHMZBOCLSA-N
XLogP3.33
TPSA146.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide?
The IUPAC name of 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide (CID 167923361) is 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide.
What is the SMILES notation for 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide?
The canonical SMILES for 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide is [N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)N[C@@H]2CC(F)(F)C[C@H]2O)c1.
What is the InChIKey of 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide?
The InChIKey is BVHROYCATDXZBE-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H13F2N7O2/c14-13(15)4-10(11(23)5-13)19-12(24)8-1-7(6-18-21-16)2-9(3-8)20-22-17/h1-3,10-11,23H,4-6H2,(H,19,24)/t10-,11-/m1/s1.
What are the key properties of 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide?
3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide has a molecular weight of 337.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide is sourced from PubChem (CID 167923361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).