N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide

C18H16FN3O — CID 58407131

IUPACN-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(c1cccc(F)c1)=CCC2
InChIInChI=1S/C18H16FN3O/c19-14-5-1-4-12(9-14)15-6-2-3-11-7-8-13(10-16(11)15)17(23)22-18(20)21/h1,4-10H,2-3H2,(H4,20,21,22,23)
InChIKeyQWPHGDJXFHPZNT-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.62
Rot. Bonds2

About N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide

N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 58407131) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
PubChem CID58407131
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(c1cccc(F)c1)=CCC2
InChIInChI=1S/C18H16FN3O/c19-14-5-1-4-12(9-14)15-6-2-3-11-7-8-13(10-16(11)15)17(23)22-18(20)21/h1,4-10H,2-3H2,(H4,20,21,22,23)
InChIKeyQWPHGDJXFHPZNT-UHFFFAOYSA-N
XLogP2.62
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.62
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)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide (CID 58407131) is N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide is NC(N)=NC(=O)c1ccc2c(c1)C(c1cccc(F)c1)=CCC2.
What is the InChIKey of N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is QWPHGDJXFHPZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-14-5-1-4-12(9-14)15-6-2-3-11-7-8-13(10-16(11)15)17(23)22-18(20)21/h1,4-10H,2-3H2,(H4,20,21,22,23).
What are the key properties of N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide?
N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-8-(3-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 58407131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).