4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide

C22H19N3O4 — CID 3595179

IUPAC4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(COc1ccc(C(=O)NN=Cc2ccccc2O)cc1)Nc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-20-9-5-4-6-17(20)14-23-25-22(28)16-10-12-19(13-11-16)29-15-21(27)24-18-7-2-1-3-8-18/h1-14,26H,15H2,(H,24,27)(H,25,28)
InChIKeyDFKVRQWVPFPBDT-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.17
Rot. Bonds7

About 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide

4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 3595179) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID3595179
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(COc1ccc(C(=O)NN=Cc2ccccc2O)cc1)Nc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-20-9-5-4-6-17(20)14-23-25-22(28)16-10-12-19(13-11-16)29-15-21(27)24-18-7-2-1-3-8-18/h1-14,26H,15H2,(H,24,27)(H,25,28)
InChIKeyDFKVRQWVPFPBDT-UHFFFAOYSA-N
XLogP3.17
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3694397
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
CID 92850574
4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3694322
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 1105534
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
4-methoxy-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850497
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604432
N-[(E)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126256143

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide (CID 3595179) is 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide is O=C(COc1ccc(C(=O)NN=Cc2ccccc2O)cc1)Nc1ccccc1.
What is the InChIKey of 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is DFKVRQWVPFPBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-20-9-5-4-6-17(20)14-23-25-22(28)16-10-12-19(13-11-16)29-15-21(27)24-18-7-2-1-3-8-18/h1-14,26H,15H2,(H,24,27)(H,25,28).
What are the key properties of 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 389.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3595179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).