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

C9H8Br2N2O3 — CID 135867736

IUPACN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C9H8Br2N2O3/c1-4(14)13-12-3-5-2-6(10)9(16)7(11)8(5)15/h2-3,15-16H,1H3,(H,13,14)/b12-3+
InChIKeyULSBJQOZEWDCET-KGVSQERTSA-N
MW351.98 g/mol
LogP2.09
Rot. Bonds2

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

N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135867736) has the molecular formula C9H8Br2N2O3 and a molecular weight of 351.98 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135867736
Molecular FormulaC9H8Br2N2O3
Molecular Weight351.98 g/mol
Exact Mass349.89
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C9H8Br2N2O3/c1-4(14)13-12-3-5-2-6(10)9(16)7(11)8(5)15/h2-3,15-16H,1H3,(H,13,14)/b12-3+
InChIKeyULSBJQOZEWDCET-KGVSQERTSA-N
XLogP2.09
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.98
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135867736) is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide is CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is ULSBJQOZEWDCET-KGVSQERTSA-N. The full InChI is InChI=1S/C9H8Br2N2O3/c1-4(14)13-12-3-5-2-6(10)9(16)7(11)8(5)15/h2-3,15-16H,1H3,(H,13,14)/b12-3+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide?
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 351.98 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135867736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).