N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride

C18H20ClN3O2 — CID 118706733

IUPACN-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
SMILESCCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O.Cl
InChIInChI=1S/C18H19N3O2.ClH/c1-3-10-5-4-6-13-15(10)12-8-7-11(16(22)21-17(19)20)9-14(12)18(13,2)23;/h4-9,23H,3H2,1-2H3,(H4,19,20,21,22);1H
InChIKeyDEFMIXNDXBLCFJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.32
Rot. Bonds2

About N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride

N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride (PubChem CID 118706733) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
PubChem CID118706733
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
SMILESCCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O.Cl
InChIInChI=1S/C18H19N3O2.ClH/c1-3-10-5-4-6-13-15(10)12-8-7-11(16(22)21-17(19)20)9-14(12)18(13,2)23;/h4-9,23H,3H2,1-2H3,(H4,19,20,21,22);1H
InChIKeyDEFMIXNDXBLCFJ-UHFFFAOYSA-N
XLogP2.32
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.32
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 N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride (CID 118706733) is N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride is CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O.Cl.
What is the InChIKey of N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride?
The InChIKey is DEFMIXNDXBLCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2.ClH/c1-3-10-5-4-6-13-15(10)12-8-7-11(16(22)21-17(19)20)9-14(12)18(13,2)23;/h4-9,23H,3H2,1-2H3,(H4,19,20,21,22);1H.
What are the key properties of N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).