4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide

C24H20N4O3 — CID 3694322

IUPAC4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
SMILESO=C(COc1ccc(C(=O)NN=Cc2c[nH]c3ccccc23)cc1)Nc1ccccc1
InChIInChI=1S/C24H20N4O3/c29-23(27-19-6-2-1-3-7-19)16-31-20-12-10-17(11-13-20)24(30)28-26-15-18-14-25-22-9-5-4-8-21(18)22/h1-15,25H,16H2,(H,27,29)(H,28,30)
InChIKeyCELUJHXTBQRHKN-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.95
Rot. Bonds7

About 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide

4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide (PubChem CID 3694322) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
PubChem CID3694322
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
SMILESO=C(COc1ccc(C(=O)NN=Cc2c[nH]c3ccccc23)cc1)Nc1ccccc1
InChIInChI=1S/C24H20N4O3/c29-23(27-19-6-2-1-3-7-19)16-31-20-12-10-17(11-13-20)24(30)28-26-15-18-14-25-22-9-5-4-8-21(18)22/h1-15,25H,16H2,(H,27,29)(H,28,30)
InChIKeyCELUJHXTBQRHKN-UHFFFAOYSA-N
XLogP3.95
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.95
H-Bond Donors ≤ 53
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)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 3595179
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
CID 135678489
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
CID 92850574
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 136806694

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide?
The IUPAC name of 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide (CID 3694322) is 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide?
The canonical SMILES for 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide is O=C(COc1ccc(C(=O)NN=Cc2c[nH]c3ccccc23)cc1)Nc1ccccc1.
What is the InChIKey of 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide?
The InChIKey is CELUJHXTBQRHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-23(27-19-6-2-1-3-7-19)16-31-20-12-10-17(11-13-20)24(30)28-26-15-18-14-25-22-9-5-4-8-21(18)22/h1-15,25H,16H2,(H,27,29)(H,28,30).
What are the key properties of 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide?
4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide has a molecular weight of 412.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide is sourced from PubChem (CID 3694322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).