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

C18H12F3N3O — CID 46865262

IUPACN-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2cccc(-c3c(F)cc(F)cc3F)c2c1
InChIInChI=1S/C18H12F3N3O/c19-11-7-14(20)16(15(21)8-11)12-3-1-2-9-4-5-10(6-13(9)12)17(25)24-18(22)23/h1-8H,(H4,22,23,24,25)
InChIKeySOXLYHZUCCEQRB-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.34
Rot. Bonds2

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

N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide (PubChem CID 46865262) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide
PubChem CID46865262
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC NameN-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2cccc(-c3c(F)cc(F)cc3F)c2c1
InChIInChI=1S/C18H12F3N3O/c19-11-7-14(20)16(15(21)8-11)12-3-1-2-9-4-5-10(6-13(9)12)17(25)24-18(22)23/h1-8H,(H4,22,23,24,25)
InChIKeySOXLYHZUCCEQRB-UHFFFAOYSA-N
XLogP3.34
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.34
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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Related Compounds

2-Naphthalenecarboxamide
CID 75245
N-hydroxy-4-(naphthalen-1-yl)benzamide
CID 17748273
Anthracene-2-carboxylic acid hydroxyamide
CID 20227315
N-Hydroxy-4-naphthalen-2-yl-benzamide
CID 44369651
Phenanthrene-2-carboxylic acid hydroxyamide
CID 20227317
Phenanthrene-3-carboxylic acid hydroxyamide
CID 44387129
N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride
CID 118706298
N'-(2-fluorobenzoyl)-2-naphthohydrazide
CID 259098
Anthracene-1-carboxylic acid amide
CID 827252
N-(Naphthalene-1-carbonyl)-N''-(4-phenyl-butyl)-guanidine
CID 22149297
Hydrazine, 1-(m-fluorobenzoyl)-2-(1-naphthoyl)-
CID 52884
1-Naphthalenecarboxylic acid 2-(4-fluorobenzoyl)hydrazide
CID 52885

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide (CID 46865262) is N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide is NC(N)=NC(=O)c1ccc2cccc(-c3c(F)cc(F)cc3F)c2c1.
What is the InChIKey of N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide?
The InChIKey is SOXLYHZUCCEQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c19-11-7-14(20)16(15(21)8-11)12-3-1-2-9-4-5-10(6-13(9)12)17(25)24-18(22)23/h1-8H,(H4,22,23,24,25).
What are the key properties of N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide?
N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 46865262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).