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

C19H18FN3O — CID 58407164

IUPACN-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESCc1cccc(C2=CCCc3ccc(C(=O)N=C(N)N)cc32)c1F
InChIInChI=1S/C19H18FN3O/c1-11-4-2-7-15(17(11)20)14-6-3-5-12-8-9-13(10-16(12)14)18(24)23-19(21)22/h2,4,6-10H,3,5H2,1H3,(H4,21,22,23,24)
InChIKeyAPMCNXFLMVWOJA-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.93
Rot. Bonds2

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

N-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 58407164) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
PubChem CID58407164
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESCc1cccc(C2=CCCc3ccc(C(=O)N=C(N)N)cc32)c1F
InChIInChI=1S/C19H18FN3O/c1-11-4-2-7-15(17(11)20)14-6-3-5-12-8-9-13(10-16(12)14)18(24)23-19(21)22/h2,4,6-10H,3,5H2,1H3,(H4,21,22,23,24)
InChIKeyAPMCNXFLMVWOJA-UHFFFAOYSA-N
XLogP2.93
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.93
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-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide (CID 58407164) is N-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide is Cc1cccc(C2=CCCc3ccc(C(=O)N=C(N)N)cc32)c1F.
What is the InChIKey of N-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is APMCNXFLMVWOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-11-4-2-7-15(17(11)20)14-6-3-5-12-8-9-13(10-16(12)14)18(24)23-19(21)22/h2,4,6-10H,3,5H2,1H3,(H4,21,22,23,24).
What are the key properties of N-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide?
N-(diaminomethylidene)-8-(2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 2.93, 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-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 58407164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).