N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide

C17H17N3O2 — CID 118706285

IUPACN-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide
SMILESCCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O
InChIInChI=1S/C17H17N3O2/c1-2-9-4-3-5-12-14(9)11-7-6-10(8-13(11)15(12)21)16(22)20-17(18)19/h3-8,15,21H,2H2,1H3,(H4,18,19,20,22)
InChIKeyNGBRYMGANCHZQY-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.72
Rot. Bonds2

About N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide

N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide (PubChem CID 118706285) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide
PubChem CID118706285
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide
SMILESCCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O
InChIInChI=1S/C17H17N3O2/c1-2-9-4-3-5-12-14(9)11-7-6-10(8-13(11)15(12)21)16(22)20-17(18)19/h3-8,15,21H,2H2,1H3,(H4,18,19,20,22)
InChIKeyNGBRYMGANCHZQY-UHFFFAOYSA-N
XLogP1.72
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide (CID 118706285) is N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide is CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O.
What is the InChIKey of N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide?
The InChIKey is NGBRYMGANCHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-9-4-3-5-12-14(9)11-7-6-10(8-13(11)15(12)21)16(22)20-17(18)19/h3-8,15,21H,2H2,1H3,(H4,18,19,20,22).
What are the key properties of N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide?
N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.72, 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-9H-fluorene-2-carboxamide is sourced from PubChem (CID 118706285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).