(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid

C15H12N2O3 — CID 122639210

IUPAC(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccccc2)c2c1C(=O)NC2
InChIInChI=1S/C15H12N2O3/c18-14-13-11(8-16-14)10(9-4-2-1-3-5-9)6-7-12(13)17-15(19)20/h1-7,17H,8H2,(H,16,18)(H,19,20)
InChIKeyCFYADMSHIWXNEB-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.69
Rot. Bonds2

About (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid

(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid (PubChem CID 122639210) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid.

Molecular Properties

Compound Name(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
PubChem CID122639210
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccccc2)c2c1C(=O)NC2
InChIInChI=1S/C15H12N2O3/c18-14-13-11(8-16-14)10(9-4-2-1-3-5-9)6-7-12(13)17-15(19)20/h1-7,17H,8H2,(H,16,18)(H,19,20)
InChIKeyCFYADMSHIWXNEB-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid?
The IUPAC name of (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid (CID 122639210) is (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid.
What is the SMILES notation for (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid?
The canonical SMILES for (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid is O=C(O)Nc1ccc(-c2ccccc2)c2c1C(=O)NC2.
What is the InChIKey of (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid?
The InChIKey is CFYADMSHIWXNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-14-13-11(8-16-14)10(9-4-2-1-3-5-9)6-7-12(13)17-15(19)20/h1-7,17H,8H2,(H,16,18)(H,19,20).
What are the key properties of (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid?
(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid has a molecular weight of 268.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid is sourced from PubChem (CID 122639210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).