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

C19H15Br2N3O3 — CID 135476586

IUPACN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-24-16(25)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22,26-27H,10H2,(H,24,25)/b23-9+
InChIKeyRMBDLOATEPYBSI-NUGSKGIGSA-N
MW493.16 g/mol
LogP4.34
Rot. Bonds5

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

N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (PubChem CID 135476586) has the molecular formula C19H15Br2N3O3 and a molecular weight of 493.16 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
PubChem CID135476586
Molecular FormulaC19H15Br2N3O3
Molecular Weight493.16 g/mol
Exact Mass490.95
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-24-16(25)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22,26-27H,10H2,(H,24,25)/b23-9+
InChIKeyRMBDLOATEPYBSI-NUGSKGIGSA-N
XLogP4.34
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.16
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CFTR Inhibitor II, GlyH-101
CID 136218970
N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]-2-[(naphthalen-2-YL)amino]acetohydrazide
CID 135420055
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 135716947
N-(2-Naphthalenyl)-((3,5-dibromo-2,4-dihydroxyphenyl)methylene)glycine hydrazide
CID 137240672
N-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)methylideneamino]-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 145487211
N'-[(E)-(5-Bromo-2-hydroxyphenyl)methylidene]-2-[(naphthalen-1-YL)amino]acetohydrazide
CID 135420039
N'-[(E)-(3,5-Dibromo-2,4-dihydroxyphenyl)methylidene]-2-[(2-methylphenyl)amino]acetohydrazide
CID 135419731
N'-(3,5-dibromo-2-hydroxybenzylidene)-2-[(4-methylphenyl)amino]acetohydrazide
CID 135459008
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 3413775
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135715997
2-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(1-naphthyl)-2-oxoacetamide
CID 135822485
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 137129346

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (CID 135476586) is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(O)c(Br)c1O.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is RMBDLOATEPYBSI-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-24-16(25)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22,26-27H,10H2,(H,24,25)/b23-9+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 493.16 g/mol, XLogP of 4.34, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 135476586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).