N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride

C15H13ClFN3O2 — CID 118706283

IUPACN-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2
InChIInChI=1S/C15H12FN3O2.ClH/c16-11-3-1-2-9-12(11)8-5-4-7(6-10(8)13(9)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);1H
InChIKeyVCUHHNMYBGUWIR-UHFFFAOYSA-N
MW321.74 g/mol
LogP1.72
Rot. Bonds1

About N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride

N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride (PubChem CID 118706283) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
PubChem CID118706283
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC NameN-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2
InChIInChI=1S/C15H12FN3O2.ClH/c16-11-3-1-2-9-12(11)8-5-4-7(6-10(8)13(9)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);1H
InChIKeyVCUHHNMYBGUWIR-UHFFFAOYSA-N
XLogP1.72
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(diaminomethylidene)-9-hydroxy-5-methyl-9H-fluorene-2-carboxamide;hydrochloride
CID 118706281
8-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
CID 118706288
N-(diaminomethylidene)-9-hydroxy-8-methyl-9H-fluorene-2-carboxamide;hydrochloride
CID 118706289
N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
CID 118706733
N-(diaminomethylidene)-9-ethyl-9-methoxyfluorene-2-carboxamide;hydrochloride
CID 118717215
N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride
CID 118717216
N-(diaminomethylene)-9-hydroxy-9H-fluorene-2-carboxamide
CID 11277147
N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
CID 23151759
(9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide
CID 11536843
(9S)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide
CID 11536844
N-(diaminomethylidene)-9-hydroxy-9H-fluorene-3-carboxamide;hydrochloride
CID 72735039
5-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
CID 118706277

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride (CID 118706283) is N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2.
What is the InChIKey of N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride?
The InChIKey is VCUHHNMYBGUWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2.ClH/c16-11-3-1-2-9-12(11)8-5-4-7(6-10(8)13(9)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);1H.
What are the key properties of N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride has a molecular weight of 321.74 g/mol, XLogP of 1.72, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).