5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide

C22H17BrFN3O3 — CID 24818705

IUPAC5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H17BrFN3O3/c1-13(26-27-22(30)18-12-15(23)9-10-20(18)28)14-5-4-6-16(11-14)25-21(29)17-7-2-3-8-19(17)24/h2-12,28H,1H3,(H,25,29)(H,27,30)
InChIKeyZSVJHZBBJZICQN-UHFFFAOYSA-N
MW470.30 g/mol
LogP4.70
Rot. Bonds5

About 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide

5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide (PubChem CID 24818705) has the molecular formula C22H17BrFN3O3 and a molecular weight of 470.30 g/mol. Its IUPAC name is 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide
PubChem CID24818705
Molecular FormulaC22H17BrFN3O3
Molecular Weight470.30 g/mol
Exact Mass469.04
IUPAC Name5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H17BrFN3O3/c1-13(26-27-22(30)18-12-15(23)9-10-20(18)28)14-5-4-6-16(11-14)25-21(29)17-7-2-3-8-19(17)24/h2-12,28H,1H3,(H,25,29)(H,27,30)
InChIKeyZSVJHZBBJZICQN-UHFFFAOYSA-N
XLogP4.70
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.30
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
N'-(5-bromo-2-hydroxybenzylidene)-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135401367
4-fluoro-N-{3-[(1E)-1-{2-[(3-hydroxyphenyl)carbonyl]hydrazinylidene}ethyl]phenyl}benzamide
CID 25237422
2-oxidanyl-N-[(E)-1-[4-(2-phenylethanoylamino)phenyl]ethylideneamino]benzamide
CID 25237596
5-bromo-N-(4-fluorophenyl)-2-hydroxy-benzamide
CID 487717
5-bromo-N-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 2804653
N-{3-[(1E)-N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9636719
5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide
CID 25237427
N-{4-[(1E)-1-{2-[(2-hydroxy-3-methylphenyl)carbonyl]hydrazinylidene}ethyl]phenyl}-2-phenylacetamide
CID 25237600
5-Bromo-N-(4-carbamimidoyl-phenyl)-2-hydroxy-benzamide
CID 44303810
3-[(5-bromo-2-hydroxybenzoyl)hydrazono]-2-(hydroxyimino)-N-phenylbutanamide
CID 135504398
4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135559957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide (CID 24818705) is 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide is CC(=NNC(=O)c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide?
The InChIKey is ZSVJHZBBJZICQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN3O3/c1-13(26-27-22(30)18-12-15(23)9-10-20(18)28)14-5-4-6-16(11-14)25-21(29)17-7-2-3-8-19(17)24/h2-12,28H,1H3,(H,25,29)(H,27,30).
What are the key properties of 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide?
5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide has a molecular weight of 470.30 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 24818705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).