N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride

C15H13ClFN3O — CID 118706298

IUPACN-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2
InChIInChI=1S/C15H12FN3O.ClH/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18;/h1-7,13H,(H4,17,18,19,20);1H
InChIKeyLXIYIAFMCMTCHM-UHFFFAOYSA-N
MW305.74 g/mol
LogP2.56
Rot. Bonds1

About N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride

N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride (PubChem CID 118706298) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride
PubChem CID118706298
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC NameN-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2
InChIInChI=1S/C15H12FN3O.ClH/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18;/h1-7,13H,(H4,17,18,19,20);1H
InChIKeyLXIYIAFMCMTCHM-UHFFFAOYSA-N
XLogP2.56
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride (CID 118706298) is N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2.
What is the InChIKey of N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride?
The InChIKey is LXIYIAFMCMTCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O.ClH/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18;/h1-7,13H,(H4,17,18,19,20);1H.
What are the key properties of N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride has a molecular weight of 305.74 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).