N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide

C16H13BrN2O2 — CID 5333947

IUPACN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
SMILESO=C(N/N=C/C(Br)=C/c1ccccc1)c1ccccc1O
InChIInChI=1S/C16H13BrN2O2/c17-13(10-12-6-2-1-3-7-12)11-18-19-16(21)14-8-4-5-9-15(14)20/h1-11,20H,(H,19,21)/b13-10-,18-11+
InChIKeyIJZILDJVOPMMJT-CGZFJWOTSA-N
MW345.20 g/mol
LogP3.54
Rot. Bonds4

About N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide (PubChem CID 5333947) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
PubChem CID5333947
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
SMILESO=C(N/N=C/C(Br)=C/c1ccccc1)c1ccccc1O
InChIInChI=1S/C16H13BrN2O2/c17-13(10-12-6-2-1-3-7-12)11-18-19-16(21)14-8-4-5-9-15(14)20/h1-11,20H,(H,19,21)/b13-10-,18-11+
InChIKeyIJZILDJVOPMMJT-CGZFJWOTSA-N
XLogP3.54
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.54
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'}

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Related Compounds

5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 6896293
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-nitrobenzamide
CID 1367855
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
CID 6025230
1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123764142
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
CID 3110234
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-(diethylamino)benzamide
CID 6902093
N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 57397723

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide (CID 5333947) is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide is O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccccc1O.
What is the InChIKey of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide?
The InChIKey is IJZILDJVOPMMJT-CGZFJWOTSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-13(10-12-6-2-1-3-7-12)11-18-19-16(21)14-8-4-5-9-15(14)20/h1-11,20H,(H,19,21)/b13-10-,18-11+.
What are the key properties of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide?
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide has a molecular weight of 345.20 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide is sourced from PubChem (CID 5333947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).