N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide

C20H18F3N3O — CID 58406683

IUPACN-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide
SMILESCC1(C)CC=C(c2c(F)cc(F)cc2F)c2cc(C(=O)N=C(N)N)ccc21
InChIInChI=1S/C20H18F3N3O/c1-20(2)6-5-12(17-15(22)8-11(21)9-16(17)23)13-7-10(3-4-14(13)20)18(27)26-19(24)25/h3-5,7-9H,6H2,1-2H3,(H4,24,25,26,27)
InChIKeyFCLYUBXTHMIKIE-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.63
Rot. Bonds2

About N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide

N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide (PubChem CID 58406683) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide
PubChem CID58406683
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide
SMILESCC1(C)CC=C(c2c(F)cc(F)cc2F)c2cc(C(=O)N=C(N)N)ccc21
InChIInChI=1S/C20H18F3N3O/c1-20(2)6-5-12(17-15(22)8-11(21)9-16(17)23)13-7-10(3-4-14(13)20)18(27)26-19(24)25/h3-5,7-9H,6H2,1-2H3,(H4,24,25,26,27)
InChIKeyFCLYUBXTHMIKIE-UHFFFAOYSA-N
XLogP3.63
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.63
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)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-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)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide (CID 58406683) is N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide is CC1(C)CC=C(c2c(F)cc(F)cc2F)c2cc(C(=O)N=C(N)N)ccc21.
What is the InChIKey of N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide?
The InChIKey is FCLYUBXTHMIKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-20(2)6-5-12(17-15(22)8-11(21)9-16(17)23)13-7-10(3-4-14(13)20)18(27)26-19(24)25/h3-5,7-9H,6H2,1-2H3,(H4,24,25,26,27).
What are the key properties of N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide?
N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 58406683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).