(4-bromophenyl) N-oxamoylcarbamate

C9H7BrN2O4 — CID 171934087

IUPAC(4-bromophenyl) N-oxamoylcarbamate
SMILESNC(=O)C(=O)NC(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O4/c10-5-1-3-6(4-2-5)16-9(15)12-8(14)7(11)13/h1-4H,(H2,11,13)(H,12,14,15)
InChIKeyWCXHLILHKIYHDL-UHFFFAOYSA-N
MW287.07 g/mol
LogP0.55
Rot. Bonds1

About (4-bromophenyl) N-oxamoylcarbamate

(4-bromophenyl) N-oxamoylcarbamate (PubChem CID 171934087) has the molecular formula C9H7BrN2O4 and a molecular weight of 287.07 g/mol. Its IUPAC name is (4-bromophenyl) N-oxamoylcarbamate.

Molecular Properties

Compound Name(4-bromophenyl) N-oxamoylcarbamate
PubChem CID171934087
Molecular FormulaC9H7BrN2O4
Molecular Weight287.07 g/mol
Exact Mass285.96
IUPAC Name(4-bromophenyl) N-oxamoylcarbamate
SMILESNC(=O)C(=O)NC(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O4/c10-5-1-3-6(4-2-5)16-9(15)12-8(14)7(11)13/h1-4H,(H2,11,13)(H,12,14,15)
InChIKeyWCXHLILHKIYHDL-UHFFFAOYSA-N
XLogP0.55
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenoxy)carbonylamino]acetic acid
CID 82306718
[4-(4-bromophenyl)phenyl] carbamate
CID 151826430
(4-bromophenyl) N-ethynylcarbamate
CID 118588818
(4-bromophenyl) N-(3-aminopropyl)carbamate
CID 116819177
(4-bromophenyl) N-(sulfonylmethyl)carbamate
CID 87609424
2-[(4-bromophenoxy)carbonylamino]-2-methylpropanoic acid
CID 116819598
phenyl N-phenoxycarbonylcarbamate
CID 11043392
(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
CID 132591998
(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate
CID 59518611
methyl 2-bromo-2-(4-bromophenoxy)acetate
CID 154287154
(4-bromophenyl) cycloprop-2-ene-1-carboxylate
CID 175603214
(4-chlorophenyl) N-(3-bromopropanoyl)carbamate
CID 2272980

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) N-oxamoylcarbamate?
The IUPAC name of (4-bromophenyl) N-oxamoylcarbamate (CID 171934087) is (4-bromophenyl) N-oxamoylcarbamate.
What is the SMILES notation for (4-bromophenyl) N-oxamoylcarbamate?
The canonical SMILES for (4-bromophenyl) N-oxamoylcarbamate is NC(=O)C(=O)NC(=O)Oc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl) N-oxamoylcarbamate?
The InChIKey is WCXHLILHKIYHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O4/c10-5-1-3-6(4-2-5)16-9(15)12-8(14)7(11)13/h1-4H,(H2,11,13)(H,12,14,15).
What are the key properties of (4-bromophenyl) N-oxamoylcarbamate?
(4-bromophenyl) N-oxamoylcarbamate has a molecular weight of 287.07 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) N-oxamoylcarbamate is sourced from PubChem (CID 171934087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).