N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide

C22H18BrN3O3 — CID 92850574

IUPACN-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
SMILESO=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1
InChIInChI=1S/C22H18BrN3O3/c23-18-10-8-17(9-11-18)22(28)26-24-14-16-6-12-20(13-7-16)29-15-21(27)25-19-4-2-1-3-5-19/h1-14H,15H2,(H,25,27)(H,26,28)/b24-14-
InChIKeyTYWIHDWPVDYWMY-OYKKKHCWSA-N
MW452.31 g/mol
LogP4.23
Rot. Bonds7

About N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide

N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide (PubChem CID 92850574) has the molecular formula C22H18BrN3O3 and a molecular weight of 452.31 g/mol. Its IUPAC name is N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
PubChem CID92850574
Molecular FormulaC22H18BrN3O3
Molecular Weight452.31 g/mol
Exact Mass451.05
IUPAC NameN-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
SMILESO=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1
InChIInChI=1S/C22H18BrN3O3/c23-18-10-8-17(9-11-18)22(28)26-24-14-16-6-12-20(13-7-16)29-15-21(27)25-19-4-2-1-3-5-19/h1-14H,15H2,(H,25,27)(H,26,28)/b24-14-
InChIKeyTYWIHDWPVDYWMY-OYKKKHCWSA-N
XLogP4.23
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 3595179
4-methoxy-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850497
N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 1105534
N-(4-bromophenyl)-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832756
N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6091071
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 124578501
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
4-chloro-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 96886328
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126326713
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
CID 94833201

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide?
The IUPAC name of N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide (CID 92850574) is N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide.
What is the SMILES notation for N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide?
The canonical SMILES for N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide is O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1.
What is the InChIKey of N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide?
The InChIKey is TYWIHDWPVDYWMY-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H18BrN3O3/c23-18-10-8-17(9-11-18)22(28)26-24-14-16-6-12-20(13-7-16)29-15-21(27)25-19-4-2-1-3-5-19/h1-14H,15H2,(H,25,27)(H,26,28)/b24-14-.
What are the key properties of N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide?
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide has a molecular weight of 452.31 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide is sourced from PubChem (CID 92850574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).