N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride

C16H16ClN3O — CID 118706300

IUPACN-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride
SMILESCC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C16H15N3O.ClH/c1-9-11-4-2-3-5-12(11)13-7-6-10(8-14(9)13)15(20)19-16(17)18;/h2-9H,1H3,(H4,17,18,19,20);1H
InChIKeyLTZZSDPBKPGDSP-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.65
Rot. Bonds1

About N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride

N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride (PubChem CID 118706300) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride
PubChem CID118706300
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride
SMILESCC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C16H15N3O.ClH/c1-9-11-4-2-3-5-12(11)13-7-6-10(8-14(9)13)15(20)19-16(17)18;/h2-9H,1H3,(H4,17,18,19,20);1H
InChIKeyLTZZSDPBKPGDSP-UHFFFAOYSA-N
XLogP2.65
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride (CID 118706300) is N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride is CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl.
What is the InChIKey of N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride?
The InChIKey is LTZZSDPBKPGDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.ClH/c1-9-11-4-2-3-5-12(11)13-7-6-10(8-14(9)13)15(20)19-16(17)18;/h2-9H,1H3,(H4,17,18,19,20);1H.
What are the key properties of N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).