N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide

C16H13N3O2 — CID 135650515

IUPACN-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide
SMILESCC(=O)N(/N=C1/C(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C16H13N3O2/c1-11(20)19(12-7-3-2-4-8-12)18-15-13-9-5-6-10-14(13)17-16(15)21/h2-10H,1H3,(H,17,18,21)
InChIKeyNAKGRIPXHJWNSR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.40
Rot. Bonds2

About N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide

N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide (PubChem CID 135650515) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide
PubChem CID135650515
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide
SMILESCC(=O)N(/N=C1/C(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C16H13N3O2/c1-11(20)19(12-7-3-2-4-8-12)18-15-13-9-5-6-10-14(13)17-16(15)21/h2-10H,1H3,(H,17,18,21)
InChIKeyNAKGRIPXHJWNSR-UHFFFAOYSA-N
XLogP2.40
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', '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

Indolidan
CID 5284402
3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
CID 78559
3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017
3-Benzylideneindolin-2-one
CID 1551501
3-Methyl-1,4-diphenyl-1H-pyrazole-5(4H)-one
CID 11414033
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
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
5'-(4-methylphenyl)-2-spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]one
CID 3136666
3,3-dimethyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one
CID 10084561
(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
CID 135411930

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide?
The IUPAC name of N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide (CID 135650515) is N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide.
What is the SMILES notation for N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide?
The canonical SMILES for N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide is CC(=O)N(/N=C1/C(=O)Nc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide?
The InChIKey is NAKGRIPXHJWNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11(20)19(12-7-3-2-4-8-12)18-15-13-9-5-6-10-14(13)17-16(15)21/h2-10H,1H3,(H,17,18,21).
What are the key properties of N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide?
N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide has a molecular weight of 279.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenylacetamide is sourced from PubChem (CID 135650515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).