N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide

C15H10N2O4 — CID 168651629

IUPACN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide
SMILESO=CNc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C15H10N2O4/c18-8-16-9-1-3-10(4-2-9)21-11-5-6-12-13(7-11)15(20)17-14(12)19/h1-8H,(H,16,18)(H,17,19,20)
InChIKeyKNKVGOXPYUQIAR-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.93
Rot. Bonds4

About N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide

N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide (PubChem CID 168651629) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide
PubChem CID168651629
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide
SMILESO=CNc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C15H10N2O4/c18-8-16-9-1-3-10(4-2-9)21-11-5-6-12-13(7-11)15(20)17-14(12)19/h1-8H,(H,16,18)(H,17,19,20)
InChIKeyKNKVGOXPYUQIAR-UHFFFAOYSA-N
XLogP1.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
Amphotalide
CID 71806
5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
5-Benzyloxyisatin
CID 16792980
(4S)-4-amino-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide
CID 24901643
2-[4-(dimethylamino)phenyl]-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25242570
5-(2-Fluoroethoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266309
2-[4-(Dimethylamino)phenyl]-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25266310
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311
5-(3-Fluoropropoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266312
2-[4-(dimethylamino)phenyl]-5-methoxy-3H-isoindol-1-one
CID 25266314
5-(2-fluoroethoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25266341

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide (CID 168651629) is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide is O=CNc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide?
The InChIKey is KNKVGOXPYUQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-8-16-9-1-3-10(4-2-9)21-11-5-6-12-13(7-11)15(20)17-14(12)19/h1-8H,(H,16,18)(H,17,19,20).
What are the key properties of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide?
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide has a molecular weight of 282.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide is sourced from PubChem (CID 168651629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).