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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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).