4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide

C17H15N3O2 — CID 23938505

IUPAC4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide
SMILESCCN1C(=O)/C(=N\c2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C17H15N3O2/c1-2-20-14-6-4-3-5-13(14)15(17(20)22)19-12-9-7-11(8-10-12)16(18)21/h3-10H,2H2,1H3,(H2,18,21)/b19-15-
InChIKeyLRJNEOMMCJVCCT-CYVLTUHYSA-N
MW293.33 g/mol
LogP2.27
Rot. Bonds3

About 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide

4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide (PubChem CID 23938505) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide
PubChem CID23938505
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide
SMILESCCN1C(=O)/C(=N\c2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C17H15N3O2/c1-2-20-14-6-4-3-5-13(14)15(17(20)22)19-12-9-7-11(8-10-12)16(18)21/h3-10H,2H2,1H3,(H2,18,21)/b19-15-
InChIKeyLRJNEOMMCJVCCT-CYVLTUHYSA-N
XLogP2.27
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-phenyliminoindol-2-one
CID 23936952
ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate
CID 23820110
methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate
CID 23826464
3-(4-bromophenyl)imino-1-(2-methylpropyl)indol-2-one
CID 23987437
1-benzyl-3-(4-bromophenyl)iminoindol-2-one
CID 24799240
methyl 4-[(2-oxo-1-propan-2-ylindol-3-ylidene)amino]benzoate
CID 23880170
ethyl 1-[[2-oxo-3-(4-phenoxyphenyl)iminoindol-1-yl]methyl]piperidine-4-carboxylate
CID 4211062
1-methyl-3-phenyliminoindol-2-one
CID 11218587
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(4-ethylphenyl)iminoindol-2-one
CID 17385505
4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 98582790

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide?
The IUPAC name of 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide (CID 23938505) is 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide.
What is the SMILES notation for 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide?
The canonical SMILES for 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide is CCN1C(=O)/C(=N\c2ccc(C(N)=O)cc2)c2ccccc21.
What is the InChIKey of 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide?
The InChIKey is LRJNEOMMCJVCCT-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-20-14-6-4-3-5-13(14)15(17(20)22)19-12-9-7-11(8-10-12)16(18)21/h3-10H,2H2,1H3,(H2,18,21)/b19-15-.
What are the key properties of 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide?
4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide is sourced from PubChem (CID 23938505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).