N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide

C22H18ClN3O3 — CID 96877628

IUPACN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
SMILESO=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1
InChIInChI=1S/C22H18ClN3O3/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+
InChIKeyXBZJCDUKKIRJIL-ZVHZXABRSA-N
MW407.86 g/mol
LogP4.12
Rot. Bonds7

About N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide

N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide (PubChem CID 96877628) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
PubChem CID96877628
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC NameN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
SMILESO=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1
InChIInChI=1S/C22H18ClN3O3/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+
InChIKeyXBZJCDUKKIRJIL-ZVHZXABRSA-N
XLogP4.12
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.12
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

4-chloro-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 96886328
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
CID 92850574
N-[(E)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126271569
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
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 3595179
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 124578501
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-benzyl-N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126174356
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3,5-dichlorophenyl]methylideneamino]benzamide
CID 126266809
N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6091071
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide (CID 96877628) is N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide is O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1.
What is the InChIKey of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide?
The InChIKey is XBZJCDUKKIRJIL-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H18ClN3O3/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-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide?
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide has a molecular weight of 407.86 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 96877628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).