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

C17H14N4O2 — CID 135500421

IUPACN-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=NN=C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H14N4O2/c1-11(22)19-13-8-6-12(7-9-13)10-18-21-16-14-4-2-3-5-15(14)20-17(16)23/h2-10H,1H3,(H,19,22)(H,20,21,23)
InChIKeyRSSBVUOBTHEWPB-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.42
Rot. Bonds3

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

N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide (PubChem CID 135500421) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
PubChem CID135500421
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=NN=C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H14N4O2/c1-11(22)19-13-8-6-12(7-9-13)10-18-21-16-14-4-2-3-5-15(14)20-17(16)23/h2-10H,1H3,(H,19,22)(H,20,21,23)
InChIKeyRSSBVUOBTHEWPB-UHFFFAOYSA-N
XLogP2.42
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide (CID 135500421) is N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide is CC(=O)Nc1ccc(C=NN=C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide?
The InChIKey is RSSBVUOBTHEWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11(22)19-13-8-6-12(7-9-13)10-18-21-16-14-4-2-3-5-15(14)20-17(16)23/h2-10H,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide?
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide has a molecular weight of 306.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 135500421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).