3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide

C14H9Br3N2O2 — CID 5331660

IUPAC3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H9Br3N2O2/c15-9-3-1-8(2-4-9)7-18-19-14(21)11-5-10(16)6-12(17)13(11)20/h1-7,20H,(H,19,21)/b18-7+
InChIKeyASQQPAZYMPSHPN-CNHKJKLMSA-N
MW476.95 g/mol
LogP4.44
Rot. Bonds3

About 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide

3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 5331660) has the molecular formula C14H9Br3N2O2 and a molecular weight of 476.95 g/mol. Its IUPAC name is 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID5331660
Molecular FormulaC14H9Br3N2O2
Molecular Weight476.95 g/mol
Exact Mass473.82
IUPAC Name3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H9Br3N2O2/c15-9-3-1-8(2-4-9)7-18-19-14(21)11-5-10(16)6-12(17)13(11)20/h1-7,20H,(H,19,21)/b18-7+
InChIKeyASQQPAZYMPSHPN-CNHKJKLMSA-N
XLogP4.44
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.95
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5331706
3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 5331629
3,5-dibromo-N-[(Z)-(3,5-diiodo-4-prop-2-enylphenyl)methylideneamino]-2-hydroxybenzamide
CID 99676195
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135511247
3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
CID 3973684
3,5-dibromo-2-hydroxy-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 2180490
4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 67494163
2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide
CID 137035120
2-[4-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 21370779
4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
CID 5333871

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide (CID 5331660) is 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1ccc(Br)cc1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is ASQQPAZYMPSHPN-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H9Br3N2O2/c15-9-3-1-8(2-4-9)7-18-19-14(21)11-5-10(16)6-12(17)13(11)20/h1-7,20H,(H,19,21)/b18-7+.
What are the key properties of 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide?
3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 476.95 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5331660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).