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

C18H15F2N3O — CID 58406515

IUPACN-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(c1cccc(F)c1F)=CCC2
InChIInChI=1S/C18H15F2N3O/c19-15-6-2-5-13(16(15)20)12-4-1-3-10-7-8-11(9-14(10)12)17(24)23-18(21)22/h2,4-9H,1,3H2,(H4,21,22,23,24)
InChIKeyVVYKDPGDABOHTR-UHFFFAOYSA-N
MW327.33 g/mol
LogP2.76
Rot. Bonds2

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

N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 58406515) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
PubChem CID58406515
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC NameN-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(c1cccc(F)c1F)=CCC2
InChIInChI=1S/C18H15F2N3O/c19-15-6-2-5-13(16(15)20)12-4-1-3-10-7-8-11(9-14(10)12)17(24)23-18(21)22/h2,4-9H,1,3H2,(H4,21,22,23,24)
InChIKeyVVYKDPGDABOHTR-UHFFFAOYSA-N
XLogP2.76
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 52.76
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'}

Analyze N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide (CID 58406515) is N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide is NC(N)=NC(=O)c1ccc2c(c1)C(c1cccc(F)c1F)=CCC2.
What is the InChIKey of N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is VVYKDPGDABOHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c19-15-6-2-5-13(16(15)20)12-4-1-3-10-7-8-11(9-14(10)12)17(24)23-18(21)22/h2,4-9H,1,3H2,(H4,21,22,23,24).
What are the key properties of N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide?
N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 58406515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).