carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium

C17H16N2O2Y-2 — CID 58543322

IUPACcarbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium
SMILESO=C([CH-]N1Cc2ccccc2C1=O)Nc1ccccc1.[CH3-].[Y]
InChIInChI=1S/C16H13N2O2.CH3.Y/c19-15(17-13-7-2-1-3-8-13)11-18-10-12-6-4-5-9-14(12)16(18)20;;/h1-9,11H,10H2,(H,17,19);1H3;/q2*-1;
InChIKeyNGRGCQOUNCZANU-UHFFFAOYSA-N
MW369.23 g/mol
LogP2.89
Rot. Bonds3

About carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium

carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium (PubChem CID 58543322) has the molecular formula C17H16N2O2Y-2 and a molecular weight of 369.23 g/mol. Its IUPAC name is carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium.

Molecular Properties

Compound Namecarbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium
PubChem CID58543322
Molecular FormulaC17H16N2O2Y-2
Molecular Weight369.23 g/mol
Exact Mass369.03
IUPAC Namecarbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium
SMILESO=C([CH-]N1Cc2ccccc2C1=O)Nc1ccccc1.[CH3-].[Y]
InChIInChI=1S/C16H13N2O2.CH3.Y/c19-15(17-13-7-2-1-3-8-13)11-18-10-12-6-4-5-9-14(12)16(18)20;;/h1-9,11H,10H2,(H,17,19);1H3;/q2*-1;
InChIKeyNGRGCQOUNCZANU-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-oxo-1H-isoindole-2-carboxylic acid;hydrochloride
CID 70554924
5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide
CID 14267826
9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide
CID 68779459
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 18870951
N-methyl-3-oxo-1H-isoindole-2-carboxamide
CID 90890545
2-stannyl-3H-isoindol-1-one
CID 151195244
1-(3-oxo-1H-isoindol-2-yl)cyclopropane-1-carboxylic acid
CID 166000582
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050
N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905905
3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 54858216
2-bromo-3H-isoindol-1-one
CID 86611253

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium?
The IUPAC name of carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium (CID 58543322) is carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium.
What is the SMILES notation for carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium?
The canonical SMILES for carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium is O=C([CH-]N1Cc2ccccc2C1=O)Nc1ccccc1.[CH3-].[Y].
What is the InChIKey of carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium?
The InChIKey is NGRGCQOUNCZANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2O2.CH3.Y/c19-15(17-13-7-2-1-3-8-13)11-18-10-12-6-4-5-9-14(12)16(18)20;;/h1-9,11H,10H2,(H,17,19);1H3;/q2*-1;.
What are the key properties of carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium?
carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium has a molecular weight of 369.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(3-oxo-1H-isoindol-2-yl)-N-phenylacetamide;yttrium is sourced from PubChem (CID 58543322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).