N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride

C18H20ClN3O3 — CID 118717216

IUPACN-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride
SMILESCOCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C18H19N3O3.ClH/c1-23-10-18(24-2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)18)16(22)21-17(19)20;/h3-9H,10H2,1-2H3,(H4,19,20,21,22);1H
InChIKeyDWVUYDWFNYEMJA-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.04
Rot. Bonds4

About N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride

N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride (PubChem CID 118717216) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride
PubChem CID118717216
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride
SMILESCOCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C18H19N3O3.ClH/c1-23-10-18(24-2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)18)16(22)21-17(19)20;/h3-9H,10H2,1-2H3,(H4,19,20,21,22);1H
InChIKeyDWVUYDWFNYEMJA-UHFFFAOYSA-N
XLogP2.04
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride (CID 118717216) is N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride is COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl.
What is the InChIKey of N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride?
The InChIKey is DWVUYDWFNYEMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3.ClH/c1-23-10-18(24-2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)18)16(22)21-17(19)20;/h3-9H,10H2,1-2H3,(H4,19,20,21,22);1H.
What are the key properties of N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride has a molecular weight of 361.83 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118717216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).