N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide

C19H17F2N3O — CID 58407486

IUPACN-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
SMILESCC1=C(c2ccc(F)cc2F)c2cc(C(=O)N=C(N)N)ccc2CC1
InChIInChI=1S/C19H17F2N3O/c1-10-2-3-11-4-5-12(18(25)24-19(22)23)8-15(11)17(10)14-7-6-13(20)9-16(14)21/h4-9H,2-3H2,1H3,(H4,22,23,24,25)
InChIKeyOOOKBQXOFXJKLY-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.15
Rot. Bonds2

About N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide

N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 58407486) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
PubChem CID58407486
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
SMILESCC1=C(c2ccc(F)cc2F)c2cc(C(=O)N=C(N)N)ccc2CC1
InChIInChI=1S/C19H17F2N3O/c1-10-2-3-11-4-5-12(18(25)24-19(22)23)8-15(11)17(10)14-7-6-13(20)9-16(14)21/h4-9H,2-3H2,1H3,(H4,22,23,24,25)
InChIKeyOOOKBQXOFXJKLY-UHFFFAOYSA-N
XLogP3.15
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.15
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-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide (CID 58407486) is N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide is CC1=C(c2ccc(F)cc2F)c2cc(C(=O)N=C(N)N)ccc2CC1.
What is the InChIKey of N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is OOOKBQXOFXJKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-10-2-3-11-4-5-12(18(25)24-19(22)23)8-15(11)17(10)14-7-6-13(20)9-16(14)21/h4-9H,2-3H2,1H3,(H4,22,23,24,25).
What are the key properties of N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide?
N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 3.15, 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-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 58407486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).