N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide

C26H24FN3O2 — CID 58406530

IUPACN-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESCOc1ccccc1C1=CCCc2ccc(C(=O)N/C(N)=N/Cc3cccc(F)c3)cc21
InChIInChI=1S/C26H24FN3O2/c1-32-24-11-3-2-9-22(24)21-10-5-7-18-12-13-19(15-23(18)21)25(31)30-26(28)29-16-17-6-4-8-20(27)14-17/h2-4,6,8-15H,5,7,16H2,1H3,(H3,28,29,30,31)
InChIKeyLNGRNVMLDNIYJE-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.46
Rot. Bonds5

About N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide

N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 58406530) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
PubChem CID58406530
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC NameN-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESCOc1ccccc1C1=CCCc2ccc(C(=O)N/C(N)=N/Cc3cccc(F)c3)cc21
InChIInChI=1S/C26H24FN3O2/c1-32-24-11-3-2-9-22(24)21-10-5-7-18-12-13-19(15-23(18)21)25(31)30-26(28)29-16-17-6-4-8-20(27)14-17/h2-4,6,8-15H,5,7,16H2,1H3,(H3,28,29,30,31)
InChIKeyLNGRNVMLDNIYJE-UHFFFAOYSA-N
XLogP4.46
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 25190380
N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 58406775
3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058777
8-(2-fluoro-4-methoxyphenyl)-5,6-dihydronaphthalene-2-carbohydrazide
CID 70895520
N-carbamothioyl-4-[(3-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591188
4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide
CID 22149264
3-[[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111058808
propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate
CID 4131696
3-[[[amino-[(3,4-dimethoxyphenyl)methylamino]methylidene]amino]methyl]-N-ethylbenzamide
CID 111071172
N-(diaminomethylidene)-8-[2-(isocyanomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxamide
CID 58406438
(2S)-2-amino-3-[4-[[N'-[[2-(3-fluorophenyl)phenyl]methyl]carbamimidoyl]carbamoyl]phenyl]propanoic acid
CID 118138482
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-fluorophenyl)methyl]guanidine
CID 111044144

Frequently Asked Questions

What is the IUPAC name of N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide (CID 58406530) is N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide is COc1ccccc1C1=CCCc2ccc(C(=O)N/C(N)=N/Cc3cccc(F)c3)cc21.
What is the InChIKey of N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is LNGRNVMLDNIYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-32-24-11-3-2-9-22(24)21-10-5-7-18-12-13-19(15-23(18)21)25(31)30-26(28)29-16-17-6-4-8-20(27)14-17/h2-4,6,8-15H,5,7,16H2,1H3,(H3,28,29,30,31).
What are the key properties of N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide?
N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 58406530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).