N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide

C19H14Br2N2O3 — CID 137148358

IUPACN-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C19H14Br2N2O3/c20-15-8-13(18(25)17(21)19(15)26)9-23-16(24)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22,25-26H,10H2/b23-9+
InChIKeyIVOPGLUYVFMDIC-NUGSKGIGSA-N
MW478.14 g/mol
LogP4.83
Rot. Bonds4

About N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide

N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide (PubChem CID 137148358) has the molecular formula C19H14Br2N2O3 and a molecular weight of 478.14 g/mol. Its IUPAC name is N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide
PubChem CID137148358
Molecular FormulaC19H14Br2N2O3
Molecular Weight478.14 g/mol
Exact Mass475.94
IUPAC NameN-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C19H14Br2N2O3/c20-15-8-13(18(25)17(21)19(15)26)9-23-16(24)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22,25-26H,10H2/b23-9+
InChIKeyIVOPGLUYVFMDIC-NUGSKGIGSA-N
XLogP4.83
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.14
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135737263
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1271925
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135781632
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154
N,N'-bis[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanediamide
CID 135446100
2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 59770955
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 687876
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135473296
4-[[2-[(2Z)-2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-naphthalen-2-ylamino]-N-methylbutanamide
CID 136647148
2-(naphthalen-2-ylamino)acetyl cyanide
CID 100819015

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide (CID 137148358) is N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide is O=C(CNc1ccc2ccccc2c1)/N=C/c1cc(Br)c(O)c(Br)c1O.
What is the InChIKey of N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is IVOPGLUYVFMDIC-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H14Br2N2O3/c20-15-8-13(18(25)17(21)19(15)26)9-23-16(24)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22,25-26H,10H2/b23-9+.
What are the key properties of N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide?
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 478.14 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 137148358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).