9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride

C19H22ClN3O2 — CID 118717212

IUPAC9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride
SMILESCCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-2-3-10-19(24)15-7-5-4-6-13(15)14-9-8-12(11-16(14)19)17(23)22-18(20)21;/h4-9,11,24H,2-3,10H2,1H3,(H4,20,21,22,23);1H
InChIKeyPHGKVAMEVAQJAZ-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.93
Rot. Bonds4

About 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride

9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride (PubChem CID 118717212) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride
PubChem CID118717212
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride
SMILESCCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-2-3-10-19(24)15-7-5-4-6-13(15)14-9-8-12(11-16(14)19)17(23)22-18(20)21;/h4-9,11,24H,2-3,10H2,1H3,(H4,20,21,22,23);1H
InChIKeyPHGKVAMEVAQJAZ-UHFFFAOYSA-N
XLogP2.93
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.93
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 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride?
The IUPAC name of 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride (CID 118717212) is 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride?
The canonical SMILES for 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride is CCCCC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl.
What is the InChIKey of 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride?
The InChIKey is PHGKVAMEVAQJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c1-2-3-10-19(24)15-7-5-4-6-13(15)14-9-8-12(11-16(14)19)17(23)22-18(20)21;/h4-9,11,24H,2-3,10H2,1H3,(H4,20,21,22,23);1H.
What are the key properties of 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride?
9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118717212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).