6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide

C24H18F2N4O — CID 166992732

IUPAC6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide
SMILES[H]/N=C(\N)c1c(N)cccc1-c1ccc2c(C(=O)Nc3cc(F)cc(F)c3)cccc2c1
InChIInChI=1S/C24H18F2N4O/c25-15-10-16(26)12-17(11-15)30-24(31)20-5-1-3-13-9-14(7-8-18(13)20)19-4-2-6-21(27)22(19)23(28)29/h1-12H,27H2,(H3,28,29)(H,30,31)
InChIKeyFZBGMFZYUCDBEH-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.90
Rot. Bonds4

About 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide

6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide (PubChem CID 166992732) has the molecular formula C24H18F2N4O and a molecular weight of 416.43 g/mol. Its IUPAC name is 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide
PubChem CID166992732
Molecular FormulaC24H18F2N4O
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide
SMILES[H]/N=C(\N)c1c(N)cccc1-c1ccc2c(C(=O)Nc3cc(F)cc(F)c3)cccc2c1
InChIInChI=1S/C24H18F2N4O/c25-15-10-16(26)12-17(11-15)30-24(31)20-5-1-3-13-9-14(7-8-18(13)20)19-4-2-6-21(27)22(19)23(28)29/h1-12H,27H2,(H3,28,29)(H,30,31)
InChIKeyFZBGMFZYUCDBEH-UHFFFAOYSA-N
XLogP4.90
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(3-amino-2-carbamimidoylphenyl)-N-(1-methyl-2H-pyridin-3-yl)naphthalene-1-carboxamide
CID 166992737
2-amino-6-(5-methylnaphthalen-2-yl)benzenecarboximidamide
CID 166992733
6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide
CID 118331347
6-(3-amino-1H-indazol-4-yl)-N-(3-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 90644667
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
N-(4-fluorophenyl)-6-hydroxynaphthalene-1-carboxamide
CID 171383627
6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide
CID 118331335
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
6-(2-hydroxyphenyl)naphthalene-1-carboxamide
CID 69279515
N-(3,5-difluorophenyl)-1H-indole-4-carboxamide
CID 43582668
3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide
CID 107363411

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide (CID 166992732) is 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide is [H]/N=C(\N)c1c(N)cccc1-c1ccc2c(C(=O)Nc3cc(F)cc(F)c3)cccc2c1.
What is the InChIKey of 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide?
The InChIKey is FZBGMFZYUCDBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O/c25-15-10-16(26)12-17(11-15)30-24(31)20-5-1-3-13-9-14(7-8-18(13)20)19-4-2-6-21(27)22(19)23(28)29/h1-12H,27H2,(H3,28,29)(H,30,31).
What are the key properties of 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide?
6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 166992732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).