2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide

C17H17BrN2O3 — CID 135615501

IUPAC2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide
SMILESC/C(=N\NC(=O)C(C)Oc1cccc(Br)c1)c1ccccc1O
InChIInChI=1S/C17H17BrN2O3/c1-11(15-8-3-4-9-16(15)21)19-20-17(22)12(2)23-14-7-5-6-13(18)10-14/h3-10,12,21H,1-2H3,(H,20,22)/b19-11+
InChIKeyXFEGRHWPHZWPCL-YBFXNURJSA-N
MW377.24 g/mol
LogP3.46
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide

2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide (PubChem CID 135615501) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide
PubChem CID135615501
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide
SMILESC/C(=N\NC(=O)C(C)Oc1cccc(Br)c1)c1ccccc1O
InChIInChI=1S/C17H17BrN2O3/c1-11(15-8-3-4-9-16(15)21)19-20-17(22)12(2)23-14-7-5-6-13(18)10-14/h3-10,12,21H,1-2H3,(H,20,22)/b19-11+
InChIKeyXFEGRHWPHZWPCL-YBFXNURJSA-N
XLogP3.46
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.46
H-Bond Donors ≤ 52
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'}

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Related Compounds

(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135794374
(2S)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784407
(2R)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784413
(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
CID 136759335
methyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]benzoate
CID 1177887
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
(2S)-2-(3-bromophenoxy)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]propanamide
CID 136869276
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide (CID 135615501) is 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide is C/C(=N\NC(=O)C(C)Oc1cccc(Br)c1)c1ccccc1O.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide?
The InChIKey is XFEGRHWPHZWPCL-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11(15-8-3-4-9-16(15)21)19-20-17(22)12(2)23-14-7-5-6-13(18)10-14/h3-10,12,21H,1-2H3,(H,20,22)/b19-11+.
What are the key properties of 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide?
2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide has a molecular weight of 377.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide is sourced from PubChem (CID 135615501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).