2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide

C29H24N4O2 — CID 6108522

IUPAC2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)/C(=N/N(c3ccccc3)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H24N4O2/c1-21-16-18-22(19-17-21)30-27(34)20-32-26-15-9-8-14-25(26)28(29(32)35)31-33(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-19H,20H2,1H3,(H,30,34)/b31-28+
InChIKeyBXWBRMBAQXPFCX-CCFHIKDMSA-N
MW460.54 g/mol
LogP5.52
Rot. Bonds6

About 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide

2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 6108522) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID6108522
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)/C(=N/N(c3ccccc3)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H24N4O2/c1-21-16-18-22(19-17-21)30-27(34)20-32-26-15-9-8-14-25(26)28(29(32)35)31-33(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-19H,20H2,1H3,(H,30,34)/b31-28+
InChIKeyBXWBRMBAQXPFCX-CCFHIKDMSA-N
XLogP5.52
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.52
H-Bond Donors ≤ 51
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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Related Compounds

2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 4312042
N-(4-methylphenyl)-2-[3-[(3-nitrophenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]acetamide
CID 4563663
N-(4-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide
CID 46341034
4-[[2-(2,3-dioxoindol-1-yl)acetyl]amino]benzoic acid
CID 3644129
(3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one
CID 5387378
N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide
CID 18804560
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2905131
2-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297706
2-[(3Z)-3-[2-(4-methoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 18804371
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
CID 3272624

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide (CID 6108522) is 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)/C(=N/N(c3ccccc3)c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is BXWBRMBAQXPFCX-CCFHIKDMSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-21-16-18-22(19-17-21)30-27(34)20-32-26-15-9-8-14-25(26)28(29(32)35)31-33(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-19H,20H2,1H3,(H,30,34)/b31-28+.
What are the key properties of 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide?
2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 460.54 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 6108522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).