6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride

C15H13Cl2N3O2 — CID 118706286

IUPAC6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2
InChIInChI=1S/C15H12ClN3O2.ClH/c16-8-2-4-10-11(6-8)9-3-1-7(5-12(9)13(10)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);1H
InChIKeyDVYWOUDQJIHLBQ-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.24
Rot. Bonds1

About 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride

6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride (PubChem CID 118706286) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
PubChem CID118706286
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2
InChIInChI=1S/C15H12ClN3O2.ClH/c16-8-2-4-10-11(6-8)9-3-1-7(5-12(9)13(10)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);1H
InChIKeyDVYWOUDQJIHLBQ-UHFFFAOYSA-N
XLogP2.24
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride (CID 118706286) is 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccc(Cl)cc1-2.
What is the InChIKey of 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride?
The InChIKey is DVYWOUDQJIHLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2.ClH/c16-8-2-4-10-11(6-8)9-3-1-7(5-12(9)13(10)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);1H.
What are the key properties of 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride?
6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride has a molecular weight of 338.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).