phenyl N-(1,3-dioxoisoindol-5-yl)carbamate

C15H10N2O4 — CID 60669008

IUPACphenyl N-(1,3-dioxoisoindol-5-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)Oc1ccccc1
InChIInChI=1S/C15H10N2O4/c18-13-11-7-6-9(8-12(11)14(19)17-13)16-15(20)21-10-4-2-1-3-5-10/h1-8H,(H,16,20)(H,17,18,19)
InChIKeyQUFDPBGSKBZMQX-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.18
Rot. Bonds2

About phenyl N-(1,3-dioxoisoindol-5-yl)carbamate

phenyl N-(1,3-dioxoisoindol-5-yl)carbamate (PubChem CID 60669008) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is phenyl N-(1,3-dioxoisoindol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1,3-dioxoisoindol-5-yl)carbamate
PubChem CID60669008
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Namephenyl N-(1,3-dioxoisoindol-5-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)Oc1ccccc1
InChIInChI=1S/C15H10N2O4/c18-13-11-7-6-9(8-12(11)14(19)17-13)16-15(20)21-10-4-2-1-3-5-10/h1-8H,(H,16,20)(H,17,18,19)
InChIKeyQUFDPBGSKBZMQX-UHFFFAOYSA-N
XLogP2.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-5-yl)-2-phenoxyacetamide
CID 881938
phenyl N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 10236287
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate
CID 54087633
phenyl N-(4-iodophenyl)carbamate
CID 73442286
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
ethane;phenyl N-(4-bromo-3-methylphenyl)carbamate
CID 178164704
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496
phenyl N-(3-methyl-4-phenoxyphenyl)carbamate
CID 139442804
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1,3-dioxoisoindol-5-yl)carbamate?
The IUPAC name of phenyl N-(1,3-dioxoisoindol-5-yl)carbamate (CID 60669008) is phenyl N-(1,3-dioxoisoindol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(1,3-dioxoisoindol-5-yl)carbamate?
The canonical SMILES for phenyl N-(1,3-dioxoisoindol-5-yl)carbamate is O=C(Nc1ccc2c(c1)C(=O)NC2=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(1,3-dioxoisoindol-5-yl)carbamate?
The InChIKey is QUFDPBGSKBZMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13-11-7-6-9(8-12(11)14(19)17-13)16-15(20)21-10-4-2-1-3-5-10/h1-8H,(H,16,20)(H,17,18,19).
What are the key properties of phenyl N-(1,3-dioxoisoindol-5-yl)carbamate?
phenyl N-(1,3-dioxoisoindol-5-yl)carbamate has a molecular weight of 282.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1,3-dioxoisoindol-5-yl)carbamate is sourced from PubChem (CID 60669008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).