3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide

C17H17BrN2O3 — CID 135560290

IUPAC3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide
SMILESCC/C(=N\NC(=O)c1ccc(OC)c(Br)c1)c1ccc(O)cc1
InChIInChI=1S/C17H17BrN2O3/c1-3-15(11-4-7-13(21)8-5-11)19-20-17(22)12-6-9-16(23-2)14(18)10-12/h4-10,21H,3H2,1-2H3,(H,20,22)/b19-15+
InChIKeyVRYBHUGOQLBPTD-XDJHFCHBSA-N
MW377.24 g/mol
LogP3.71
Rot. Bonds5

About 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide

3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide (PubChem CID 135560290) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide
PubChem CID135560290
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide
SMILESCC/C(=N\NC(=O)c1ccc(OC)c(Br)c1)c1ccc(O)cc1
InChIInChI=1S/C17H17BrN2O3/c1-3-15(11-4-7-13(21)8-5-11)19-20-17(22)12-6-9-16(23-2)14(18)10-12/h4-10,21H,3H2,1-2H3,(H,20,22)/b19-15+
InChIKeyVRYBHUGOQLBPTD-XDJHFCHBSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 6314277
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5259004
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
3-bromo-N-(ethylcarbamothioyl)-4-methoxybenzamide
CID 4947770

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide (CID 135560290) is 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide is CC/C(=N\NC(=O)c1ccc(OC)c(Br)c1)c1ccc(O)cc1.
What is the InChIKey of 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide?
The InChIKey is VRYBHUGOQLBPTD-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-3-15(11-4-7-13(21)8-5-11)19-20-17(22)12-6-9-16(23-2)14(18)10-12/h4-10,21H,3H2,1-2H3,(H,20,22)/b19-15+.
What are the key properties of 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide?
3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide has a molecular weight of 377.24 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 135560290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).