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

C16H16ClN3O3 — CID 118706291

IUPACN-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2
InChIInChI=1S/C16H15N3O3.ClH/c17-16(18)19-15(22)8-4-5-10-12(6-8)14(21)11-3-1-2-9(7-20)13(10)11;/h1-6,14,20-21H,7H2,(H4,17,18,19,22);1H
InChIKeyFZZFZRSSXDRSOC-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.08
Rot. Bonds2

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

N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride (PubChem CID 118706291) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride
PubChem CID118706291
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2
InChIInChI=1S/C16H15N3O3.ClH/c17-16(18)19-15(22)8-4-5-10-12(6-8)14(21)11-3-1-2-9(7-20)13(10)11;/h1-6,14,20-21H,7H2,(H4,17,18,19,22);1H
InChIKeyFZZFZRSSXDRSOC-UHFFFAOYSA-N
XLogP1.08
TPSA121.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(diaminomethylidene)-9-hydroxy-5-methyl-9H-fluorene-2-carboxamide;hydrochloride
CID 118706281
N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
CID 118706283
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

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride (CID 118706291) is N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2.
What is the InChIKey of N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride?
The InChIKey is FZZFZRSSXDRSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3.ClH/c17-16(18)19-15(22)8-4-5-10-12(6-8)14(21)11-3-1-2-9(7-20)13(10)11;/h1-6,14,20-21H,7H2,(H4,17,18,19,22);1H.
What are the key properties of N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride has a molecular weight of 333.78 g/mol, XLogP of 1.08, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).