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

C15H15ClN4O — CID 118706297

IUPAC9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2
InChIInChI=1S/C15H14N4O.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,16H2,(H4,17,18,19,20);1H
InChIKeySWESLPICXNNAHD-UHFFFAOYSA-N
MW302.77 g/mol
LogP1.55
Rot. Bonds1

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

9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride (PubChem CID 118706297) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride
PubChem CID118706297
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2
InChIInChI=1S/C15H14N4O.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,16H2,(H4,17,18,19,20);1H
InChIKeySWESLPICXNNAHD-UHFFFAOYSA-N
XLogP1.55
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 51.55
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 9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride (CID 118706297) is 9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2.
What is the InChIKey of 9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride?
The InChIKey is SWESLPICXNNAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O.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,16H2,(H4,17,18,19,20);1H.
What are the key properties of 9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride?
9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride has a molecular weight of 302.77 g/mol, XLogP of 1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).