7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide

C16H9ClN4O2 — CID 56760465

IUPAC7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide
SMILESO=C(Nn1cnnc1)c1cccc2c1C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C16H9ClN4O2/c17-9-4-5-10-11-2-1-3-12(14(11)15(22)13(10)6-9)16(23)20-21-7-18-19-8-21/h1-8H,(H,20,23)
InChIKeyWISVWOWGOQTLDD-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.53
Rot. Bonds2

About 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide

7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide (PubChem CID 56760465) has the molecular formula C16H9ClN4O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide.

Molecular Properties

Compound Name7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide
PubChem CID56760465
Molecular FormulaC16H9ClN4O2
Molecular Weight324.73 g/mol
Exact Mass324.04
IUPAC Name7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide
SMILESO=C(Nn1cnnc1)c1cccc2c1C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C16H9ClN4O2/c17-9-4-5-10-11-2-1-3-12(14(11)15(22)13(10)6-9)16(23)20-21-7-18-19-8-21/h1-8H,(H,20,23)
InChIKeyWISVWOWGOQTLDD-UHFFFAOYSA-N
XLogP2.53
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide?
The IUPAC name of 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide (CID 56760465) is 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide.
What is the SMILES notation for 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide?
The canonical SMILES for 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide is O=C(Nn1cnnc1)c1cccc2c1C(=O)c1cc(Cl)ccc1-2.
What is the InChIKey of 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide?
The InChIKey is WISVWOWGOQTLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O2/c17-9-4-5-10-11-2-1-3-12(14(11)15(22)13(10)6-9)16(23)20-21-7-18-19-8-21/h1-8H,(H,20,23).
What are the key properties of 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide?
7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide has a molecular weight of 324.73 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide is sourced from PubChem (CID 56760465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).