N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide

C21H14Br2FN3O3 — CID 4541006

IUPACN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(NN=Cc1cc(Br)cc(Br)c1O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C21H14Br2FN3O3/c22-15-8-14(19(28)18(23)10-15)11-25-27-21(30)13-2-1-3-17(9-13)26-20(29)12-4-6-16(24)7-5-12/h1-11,28H,(H,26,29)(H,27,30)
InChIKeyCIPJBKARKPBWOS-UHFFFAOYSA-N
MW535.17 g/mol
LogP5.07
Rot. Bonds5

About N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 4541006) has the molecular formula C21H14Br2FN3O3 and a molecular weight of 535.17 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide
PubChem CID4541006
Molecular FormulaC21H14Br2FN3O3
Molecular Weight535.17 g/mol
Exact Mass532.94
IUPAC NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(NN=Cc1cc(Br)cc(Br)c1O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C21H14Br2FN3O3/c22-15-8-14(19(28)18(23)10-15)11-25-27-21(30)13-2-1-3-17(9-13)26-20(29)12-4-6-16(24)7-5-12/h1-11,28H,(H,26,29)(H,27,30)
InChIKeyCIPJBKARKPBWOS-UHFFFAOYSA-N
XLogP5.07
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.17
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide (CID 4541006) is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide is O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is CIPJBKARKPBWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2FN3O3/c22-15-8-14(19(28)18(23)10-15)11-25-27-21(30)13-2-1-3-17(9-13)26-20(29)12-4-6-16(24)7-5-12/h1-11,28H,(H,26,29)(H,27,30).
What are the key properties of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide?
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 535.17 g/mol, XLogP of 5.07, 5 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-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 4541006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).