(4-bromophenyl) N-propan-2-ylcarbamoperoxoate

C10H12BrNO3 — CID 170339257

IUPAC(4-bromophenyl) N-propan-2-ylcarbamoperoxoate
SMILESCC(C)NC(=O)OOc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c1-7(2)12-10(13)15-14-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyFIUXHIARIGWSSI-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.88
Rot. Bonds3

About (4-bromophenyl) N-propan-2-ylcarbamoperoxoate

(4-bromophenyl) N-propan-2-ylcarbamoperoxoate (PubChem CID 170339257) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is (4-bromophenyl) N-propan-2-ylcarbamoperoxoate.

Molecular Properties

Compound Name(4-bromophenyl) N-propan-2-ylcarbamoperoxoate
PubChem CID170339257
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name(4-bromophenyl) N-propan-2-ylcarbamoperoxoate
SMILESCC(C)NC(=O)OOc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c1-7(2)12-10(13)15-14-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyFIUXHIARIGWSSI-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098
sodium;(4-bromophenyl) ethaneperoxoate;hydride
CID 175143397
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475634
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
methyl 3-amino-2-(4-bromophenoxy)propanoate
CID 110209426
(4-bromophenyl) azetidine-1-carboperoxoate
CID 168984671
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
methyl 2-amino-3-(4-bromophenoxy)butanoate
CID 86263225
methyl 2-bromo-2-(4-bromophenoxy)acetate
CID 154287154
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
CID 127551398
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7742947
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) N-propan-2-ylcarbamoperoxoate?
The IUPAC name of (4-bromophenyl) N-propan-2-ylcarbamoperoxoate (CID 170339257) is (4-bromophenyl) N-propan-2-ylcarbamoperoxoate.
What is the SMILES notation for (4-bromophenyl) N-propan-2-ylcarbamoperoxoate?
The canonical SMILES for (4-bromophenyl) N-propan-2-ylcarbamoperoxoate is CC(C)NC(=O)OOc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl) N-propan-2-ylcarbamoperoxoate?
The InChIKey is FIUXHIARIGWSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-7(2)12-10(13)15-14-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of (4-bromophenyl) N-propan-2-ylcarbamoperoxoate?
(4-bromophenyl) N-propan-2-ylcarbamoperoxoate has a molecular weight of 274.11 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) N-propan-2-ylcarbamoperoxoate is sourced from PubChem (CID 170339257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).