2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide

C15H11Br3N2O2 — CID 137157108

IUPAC2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1Br)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H11Br3N2O2/c1-8(11-6-9(16)7-13(18)14(11)21)19-20-15(22)10-4-2-3-5-12(10)17/h2-7,21H,1H3,(H,20,22)
InChIKeyYDUVABCVUDVQLV-UHFFFAOYSA-N
MW490.98 g/mol
LogP4.83
Rot. Bonds3

About 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide

2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 137157108) has the molecular formula C15H11Br3N2O2 and a molecular weight of 490.98 g/mol. Its IUPAC name is 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID137157108
Molecular FormulaC15H11Br3N2O2
Molecular Weight490.98 g/mol
Exact Mass487.84
IUPAC Name2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1Br)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H11Br3N2O2/c1-8(11-6-9(16)7-13(18)14(11)21)19-20-15(22)10-4-2-3-5-12(10)17/h2-7,21H,1H3,(H,20,22)
InChIKeyYDUVABCVUDVQLV-UHFFFAOYSA-N
XLogP4.83
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.98
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 137037552
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137125205
2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6084875
2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
CID 137308244
2-bromo-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
CID 135775128
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9016439
2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
CID 5050427
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 4307399
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide (CID 137157108) is 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1Br)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is YDUVABCVUDVQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3N2O2/c1-8(11-6-9(16)7-13(18)14(11)21)19-20-15(22)10-4-2-3-5-12(10)17/h2-7,21H,1H3,(H,20,22).
What are the key properties of 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide?
2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 490.98 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 137157108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).