N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide

C17H15N3O2 — CID 135453574

IUPACN-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H15N3O2/c1-11(21)20(2)13-9-7-12(8-10-13)18-16-14-5-3-4-6-15(14)19-17(16)22/h3-10H,1-2H3,(H,18,19,22)
InChIKeyLGOXQRSTNXHFNN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.74
Rot. Bonds2

About N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide

N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide (PubChem CID 135453574) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide
PubChem CID135453574
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H15N3O2/c1-11(21)20(2)13-9-7-12(8-10-13)18-16-14-5-3-4-6-15(14)19-17(16)22/h3-10H,1-2H3,(H,18,19,22)
InChIKeyLGOXQRSTNXHFNN-UHFFFAOYSA-N
XLogP2.74
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.74
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

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
3-((4-Chlorophenyl)imino)indolin-2-one
CID 135411931
3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017
3-(4-Bromo-phenylimino)-1,3-dihydro-indol-2-one
CID 135411933
3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
3-(diphenylhydrazinylidene)-1,3-dihydro-2H-indol-2-one
CID 135439090
3-[4-(Dimethylamino)benzylidene]indolin-2-one
CID 5353593
3-(2-aminophenyl)-1-methylquinoxalin-2(1H)-one
CID 739718
(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
CID 135411930
3-(4-Acetylanilino)indol-2-one
CID 135406019
3-(4-Dimethylaminobenzylidenyl)-2-indolinone
CID 3135

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide (CID 135453574) is N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide is CC(=O)N(C)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide?
The InChIKey is LGOXQRSTNXHFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11(21)20(2)13-9-7-12(8-10-13)18-16-14-5-3-4-6-15(14)19-17(16)22/h3-10H,1-2H3,(H,18,19,22).
What are the key properties of N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide?
N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]acetamide is sourced from PubChem (CID 135453574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).