N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide

C17H17BrN2O2 — CID 78776174

IUPACN-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12(15-5-3-4-6-16(15)18)20-17(21)14-9-7-13(8-10-14)11-19-22-2/h3-12H,1-2H3,(H,20,21)/b19-11+
InChIKeySBCQQVVETBWHDA-YBFXNURJSA-N
MW361.24 g/mol
LogP3.92
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide

N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide (PubChem CID 78776174) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
PubChem CID78776174
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12(15-5-3-4-6-16(15)18)20-17(21)14-9-7-13(8-10-14)11-19-22-2/h3-12H,1-2H3,(H,20,21)/b19-11+
InChIKeySBCQQVVETBWHDA-YBFXNURJSA-N
XLogP3.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
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

4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide
CID 86932919
2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7644254
N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78773456
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide
CID 54475671
N-[1-(2-bromophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 51149312
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
CID 8759706
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51195725
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
CID 9220040

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide (CID 78776174) is N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide is CO/N=C/c1ccc(C(=O)NC(C)c2ccccc2Br)cc1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide?
The InChIKey is SBCQQVVETBWHDA-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12(15-5-3-4-6-16(15)18)20-17(21)14-9-7-13(8-10-14)11-19-22-2/h3-12H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide?
N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide is sourced from PubChem (CID 78776174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).