9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide

C23H18N6O2 — CID 86887275

IUPAC9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide
SMILESO=C(NCCNc1nnnn1-c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C23H18N6O2/c30-21-19-9-5-4-8-17(19)18-11-10-15(14-20(18)21)22(31)24-12-13-25-23-26-27-28-29(23)16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,31)(H,25,26,28)
InChIKeyLRFADEMNUBZRKC-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.72
Rot. Bonds6

About 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide

9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide (PubChem CID 86887275) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide.

Molecular Properties

Compound Name9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide
PubChem CID86887275
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide
SMILESO=C(NCCNc1nnnn1-c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C23H18N6O2/c30-21-19-9-5-4-8-17(19)18-11-10-15(14-20(18)21)22(31)24-12-13-25-23-26-27-28-29(23)16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,31)(H,25,26,28)
InChIKeyLRFADEMNUBZRKC-UHFFFAOYSA-N
XLogP2.72
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide?
The IUPAC name of 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide (CID 86887275) is 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide.
What is the SMILES notation for 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide?
The canonical SMILES for 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide is O=C(NCCNc1nnnn1-c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide?
The InChIKey is LRFADEMNUBZRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c30-21-19-9-5-4-8-17(19)18-11-10-15(14-20(18)21)22(31)24-12-13-25-23-26-27-28-29(23)16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,31)(H,25,26,28).
What are the key properties of 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide?
9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide is sourced from PubChem (CID 86887275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).