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

C16H16ClN3O2 — CID 118706302

IUPACN-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
SMILESCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C16H15N3O2.ClH/c1-16(21)12-5-3-2-4-10(12)11-7-6-9(8-13(11)16)14(20)19-15(17)18;/h2-8,21H,1H3,(H4,17,18,19,20);1H
InChIKeyYOHOVGGGJNLYRZ-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.76
Rot. Bonds1

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

N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride (PubChem CID 118706302) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
PubChem CID118706302
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
SMILESCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C16H15N3O2.ClH/c1-16(21)12-5-3-2-4-10(12)11-7-6-9(8-13(11)16)14(20)19-15(17)18;/h2-8,21H,1H3,(H4,17,18,19,20);1H
InChIKeyYOHOVGGGJNLYRZ-UHFFFAOYSA-N
XLogP1.76
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.76
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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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-9-methylfluorene-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride (CID 118706302) is N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride is CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl.
What is the InChIKey of N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride?
The InChIKey is YOHOVGGGJNLYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2.ClH/c1-16(21)12-5-3-2-4-10(12)11-7-6-9(8-13(11)16)14(20)19-15(17)18;/h2-8,21H,1H3,(H4,17,18,19,20);1H.
What are the key properties of N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride has a molecular weight of 317.78 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).