phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate

C21H16N2O3 — CID 140749368

IUPACphenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
SMILESO=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)Oc1ccccc1
InChIInChI=1S/C21H16N2O3/c24-20-19-17(13-22-20)16(14-7-3-1-4-8-14)11-12-18(19)23-21(25)26-15-9-5-2-6-10-15/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyHSDHDGUKJKOGFN-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.21
Rot. Bonds3

About phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate

phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate (PubChem CID 140749368) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
PubChem CID140749368
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Namephenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
SMILESO=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)Oc1ccccc1
InChIInChI=1S/C21H16N2O3/c24-20-19-17(13-22-20)16(14-7-3-1-4-8-14)11-12-18(19)23-21(25)26-15-9-5-2-6-10-15/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyHSDHDGUKJKOGFN-UHFFFAOYSA-N
XLogP4.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
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
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
tert-butyl 2-[(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 122639592
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
phenyl N-(1,3-dioxoisoindol-5-yl)carbamate
CID 60669008
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
CID 164927049
phenyl N-(2-fluorophenyl)carbamate
CID 3790948
1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-phenylurea
CID 5329877

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate?
The IUPAC name of phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate (CID 140749368) is phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate.
What is the SMILES notation for phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate?
The canonical SMILES for phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate is O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)Oc1ccccc1.
What is the InChIKey of phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate?
The InChIKey is HSDHDGUKJKOGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-20-19-17(13-22-20)16(14-7-3-1-4-8-14)11-12-18(19)23-21(25)26-15-9-5-2-6-10-15/h1-12H,13H2,(H,22,24)(H,23,25).
What are the key properties of phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate?
phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate has a molecular weight of 344.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate is sourced from PubChem (CID 140749368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).