(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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Related Compounds

phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
CID 140749368
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea
CID 122639252
N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639188
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
tert-butyl 2-[(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 122639592
N-[7-(2-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639387
3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide
CID 68808001

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).