N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide

C18H14N2O4 — CID 2323488

IUPACN-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H14N2O4/c1-10(21)11-6-8-12(9-7-11)19-18(24)16(22)15-13-4-2-3-5-14(13)20-17(15)23/h2-9,15H,1H3,(H,19,24)(H,20,23)/t15-/m1/s1
InChIKeyIPOJFFZLLVTEKL-OAHLLOKOSA-N
MW322.32 g/mol
LogP2.13
Rot. Bonds4

About N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide

N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 2323488) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
PubChem CID2323488
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H14N2O4/c1-10(21)11-6-8-12(9-7-11)19-18(24)16(22)15-13-4-2-3-5-14(13)20-17(15)23/h2-9,15H,1H3,(H,19,24)(H,20,23)/t15-/m1/s1
InChIKeyIPOJFFZLLVTEKL-OAHLLOKOSA-N
XLogP2.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3331949
N-(4-chlorophenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2272538
N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2311274
N-(4-ethoxyphenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4104794
2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid
CID 2323494
2-oxo-N-phenyl-1,3-dihydroindole-3-carboxamide
CID 134112326
N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3698854
(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid
CID 2321165
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98430375
N-cyclohexyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4245545
N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
CID 91350011
N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide
CID 17405826

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 2323488) is N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide is CC(=O)c1ccc(NC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is IPOJFFZLLVTEKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-10(21)11-6-8-12(9-7-11)19-18(24)16(22)15-13-4-2-3-5-14(13)20-17(15)23/h2-9,15H,1H3,(H,19,24)(H,20,23)/t15-/m1/s1.
What are the key properties of N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 322.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 2323488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).