N-(diaminomethylidene)-9H-fluorene-2-carboxamide

C15H13N3O — CID 72734860

IUPACN-(diaminomethylidene)-9H-fluorene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H13N3O/c16-15(17)18-14(19)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H4,16,17,18,19)
InChIKeyFGQLNLNSOMKVOD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.67
Rot. Bonds1

About N-(diaminomethylidene)-9H-fluorene-2-carboxamide

N-(diaminomethylidene)-9H-fluorene-2-carboxamide (PubChem CID 72734860) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-9H-fluorene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-9H-fluorene-2-carboxamide
PubChem CID72734860
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(diaminomethylidene)-9H-fluorene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H13N3O/c16-15(17)18-14(19)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H4,16,17,18,19)
InChIKeyFGQLNLNSOMKVOD-UHFFFAOYSA-N
XLogP1.67
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.67
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)-9H-fluorene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-9H-fluorene-2-carboxamide (CID 72734860) is N-(diaminomethylidene)-9H-fluorene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-9H-fluorene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-9H-fluorene-2-carboxamide is NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-(diaminomethylidene)-9H-fluorene-2-carboxamide?
The InChIKey is FGQLNLNSOMKVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-15(17)18-14(19)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H4,16,17,18,19).
What are the key properties of N-(diaminomethylidene)-9H-fluorene-2-carboxamide?
N-(diaminomethylidene)-9H-fluorene-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-9H-fluorene-2-carboxamide is sourced from PubChem (CID 72734860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).