2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid

C23H18N2O4 — CID 4908239

IUPAC2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1cccc2c1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C23H18N2O4/c26-21(24-20(23(28)29)15-8-3-1-4-9-15)18-13-7-10-16-14-25(22(27)19(16)18)17-11-5-2-6-12-17/h1-13,20H,14H2,(H,24,26)(H,28,29)
InChIKeyQKFPYFUWMLGFHX-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.40
Rot. Bonds5

About 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid

2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid (PubChem CID 4908239) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid
PubChem CID4908239
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1cccc2c1C(=O)N(c1ccccc1)C2
InChIInChI=1S/C23H18N2O4/c26-21(24-20(23(28)29)15-8-3-1-4-9-15)18-13-7-10-16-14-25(22(27)19(16)18)17-11-5-2-6-12-17/h1-13,20H,14H2,(H,24,26)(H,28,29)
InChIKeyQKFPYFUWMLGFHX-UHFFFAOYSA-N
XLogP3.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid (CID 4908239) is 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1cccc2c1C(=O)N(c1ccccc1)C2.
What is the InChIKey of 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is QKFPYFUWMLGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-21(24-20(23(28)29)15-8-3-1-4-9-15)18-13-7-10-16-14-25(22(27)19(16)18)17-11-5-2-6-12-17/h1-13,20H,14H2,(H,24,26)(H,28,29).
What are the key properties of 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid?
2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 386.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 4908239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).