2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide

C16H11BrN2O4 — CID 1231035

IUPAC2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H11BrN2O4/c17-9-1-4-11(5-2-9)23-8-14(20)18-10-3-6-12-13(7-10)16(22)19-15(12)21/h1-7H,8H2,(H,18,20)(H,19,21,22)
InChIKeyUSBSQRMMPBTOMH-UHFFFAOYSA-N
MW375.18 g/mol
LogP2.35
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide

2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 1231035) has the molecular formula C16H11BrN2O4 and a molecular weight of 375.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide
PubChem CID1231035
Molecular FormulaC16H11BrN2O4
Molecular Weight375.18 g/mol
Exact Mass373.99
IUPAC Name2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H11BrN2O4/c17-9-1-4-11(5-2-9)23-8-14(20)18-10-3-6-12-13(7-10)16(22)19-15(12)21/h1-7H,8H2,(H,18,20)(H,19,21,22)
InChIKeyUSBSQRMMPBTOMH-UHFFFAOYSA-N
XLogP2.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 52.35
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

[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 2391915
N-[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]acetamide
CID 656043
N-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-(2-methoxyphenyl)acetamide
CID 2953904
N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 894413
N-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-ethoxybenzamide
CID 976552
2-(2,6-dimethylphenoxy)-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)acetamide
CID 2934880
N-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-(4-methylphenoxy)acetamide
CID 2953797
N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide
CID 4970551
N-[1,3-dioxo-2-(tetrahydro-2-furanylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-2-phenoxyacetamide
CID 2936153
N-(1,3-dioxoisoindolin-5-yl)-4-ethoxybenzamide
CID 3647978
N-(1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4641353
N-(1,3-dioxo-2-phenyl-2,3-dihydro-1H-isoindol-5-yl)furan-2-carboxamide
CID 565828

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide (CID 1231035) is 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is USBSQRMMPBTOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O4/c17-9-1-4-11(5-2-9)23-8-14(20)18-10-3-6-12-13(7-10)16(22)19-15(12)21/h1-7H,8H2,(H,18,20)(H,19,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 375.18 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 1231035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).