4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

C22H18N4O6 — CID 3694397

IUPAC4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(COc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1)Nc1ccccc1
InChIInChI=1S/C22H18N4O6/c27-20-11-8-18(26(30)31)12-16(20)13-23-25-22(29)15-6-9-19(10-7-15)32-14-21(28)24-17-4-2-1-3-5-17/h1-13,27H,14H2,(H,24,28)(H,25,29)
InChIKeyXVKWJAHSFXDZSO-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.08
Rot. Bonds8

About 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 3694397) has the molecular formula C22H18N4O6 and a molecular weight of 434.41 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID3694397
Molecular FormulaC22H18N4O6
Molecular Weight434.41 g/mol
Exact Mass434.12
IUPAC Name4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(COc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1)Nc1ccccc1
InChIInChI=1S/C22H18N4O6/c27-20-11-8-18(26(30)31)12-16(20)13-23-25-22(29)15-6-9-19(10-7-15)32-14-21(28)24-17-4-2-1-3-5-17/h1-13,27H,14H2,(H,24,28)(H,25,29)
InChIKeyXVKWJAHSFXDZSO-UHFFFAOYSA-N
XLogP3.08
TPSA143.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-hydroxyphenyl)methylideneamino]benzamide
CID 3595179
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 3098486
4-(2-amino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3828860
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(pentanoylamino)benzamide
CID 135678488
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135560373
N-[(E)-[2-(2-anilino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-4-nitrobenzamide
CID 126257004
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 136824462
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927415
4-[(4-bromophenyl)methoxy]-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 171131713
4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4930536
ethyl 4-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 135678562

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (CID 3694397) is 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is O=C(COc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1)Nc1ccccc1.
What is the InChIKey of 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is XVKWJAHSFXDZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O6/c27-20-11-8-18(26(30)31)12-16(20)13-23-25-22(29)15-6-9-19(10-7-15)32-14-21(28)24-17-4-2-1-3-5-17/h1-13,27H,14H2,(H,24,28)(H,25,29).
What are the key properties of 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 434.41 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 3694397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).