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

C19H18FN3O — CID 58406429

IUPACN-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
SMILESCC1=C(c2ccccc2F)c2cc(C(=O)N=C(N)N)ccc2CC1
InChIInChI=1S/C19H18FN3O/c1-11-6-7-12-8-9-13(18(24)23-19(21)22)10-15(12)17(11)14-4-2-3-5-16(14)20/h2-5,8-10H,6-7H2,1H3,(H4,21,22,23,24)
InChIKeyBUMFAYPTVBUYRV-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.01
Rot. Bonds2

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

N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 58406429) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
PubChem CID58406429
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
SMILESCC1=C(c2ccccc2F)c2cc(C(=O)N=C(N)N)ccc2CC1
InChIInChI=1S/C19H18FN3O/c1-11-6-7-12-8-9-13(18(24)23-19(21)22)10-15(12)17(11)14-4-2-3-5-16(14)20/h2-5,8-10H,6-7H2,1H3,(H4,21,22,23,24)
InChIKeyBUMFAYPTVBUYRV-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide (CID 58406429) is N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide is CC1=C(c2ccccc2F)c2cc(C(=O)N=C(N)N)ccc2CC1.
What is the InChIKey of N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is BUMFAYPTVBUYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-11-6-7-12-8-9-13(18(24)23-19(21)22)10-15(12)17(11)14-4-2-3-5-16(14)20/h2-5,8-10H,6-7H2,1H3,(H4,21,22,23,24).
What are the key properties of N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide?
N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.01, 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-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 58406429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).