N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride

C17H18ClN3O2 — CID 118706731

IUPACN-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride
SMILESCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O.Cl
InChIInChI=1S/C17H17N3O2.ClH/c1-9-4-3-5-12-14(9)11-7-6-10(15(21)20-16(18)19)8-13(11)17(12,2)22;/h3-8,22H,1-2H3,(H4,18,19,20,21);1H
InChIKeyIPBOGOWSWRQBOL-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.07
Rot. Bonds1

About N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride

N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride (PubChem CID 118706731) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride
PubChem CID118706731
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride
SMILESCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O.Cl
InChIInChI=1S/C17H17N3O2.ClH/c1-9-4-3-5-12-14(9)11-7-6-10(15(21)20-16(18)19)8-13(11)17(12,2)22;/h3-8,22H,1-2H3,(H4,18,19,20,21);1H
InChIKeyIPBOGOWSWRQBOL-UHFFFAOYSA-N
XLogP2.07
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.07
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-5,9-dimethylfluorene-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride (CID 118706731) is N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride is Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O.Cl.
What is the InChIKey of N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride?
The InChIKey is IPBOGOWSWRQBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2.ClH/c1-9-4-3-5-12-14(9)11-7-6-10(15(21)20-16(18)19)8-13(11)17(12,2)22;/h3-8,22H,1-2H3,(H4,18,19,20,21);1H.
What are the key properties of N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of 2.07, 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-5,9-dimethylfluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).