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

C17H15BrN2O2 — CID 5340398

IUPACN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
SMILESO=C(N/N=C/C(Br)=C/c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H15BrN2O2/c18-15(11-13-7-3-1-4-8-13)12-19-20-17(22)16(21)14-9-5-2-6-10-14/h1-12,16,21H,(H,20,22)/b15-11-,19-12+
InChIKeyOBKOJJWAUFNEQD-CTGWRUSHSA-N
MW359.22 g/mol
LogP3.26
Rot. Bonds5

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

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide (PubChem CID 5340398) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
PubChem CID5340398
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
SMILESO=C(N/N=C/C(Br)=C/c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H15BrN2O2/c18-15(11-13-7-3-1-4-8-13)12-19-20-17(22)16(21)14-9-5-2-6-10-14/h1-12,16,21H,(H,20,22)/b15-11-,19-12+
InChIKeyOBKOJJWAUFNEQD-CTGWRUSHSA-N
XLogP3.26
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide (CID 5340398) is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide is O=C(N/N=C/C(Br)=C/c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide?
The InChIKey is OBKOJJWAUFNEQD-CTGWRUSHSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-15(11-13-7-3-1-4-8-13)12-19-20-17(22)16(21)14-9-5-2-6-10-14/h1-12,16,21H,(H,20,22)/b15-11-,19-12+.
What are the key properties of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide?
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide has a molecular weight of 359.22 g/mol, XLogP of 3.26, 5 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-hydroxy-2-phenylacetamide is sourced from PubChem (CID 5340398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).