[2-(3-bromophenyl)-2-oxoethyl] carbamate

C9H8BrNO3 — CID 67555042

IUPAC[2-(3-bromophenyl)-2-oxoethyl] carbamate
SMILESNC(=O)OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C9H8BrNO3/c10-7-3-1-2-6(4-7)8(12)5-14-9(11)13/h1-4H,5H2,(H2,11,13)
InChIKeyAJKOLFWHULBLGK-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.73
Rot. Bonds3

About [2-(3-bromophenyl)-2-oxoethyl] carbamate

[2-(3-bromophenyl)-2-oxoethyl] carbamate (PubChem CID 67555042) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is [2-(3-bromophenyl)-2-oxoethyl] carbamate.

Molecular Properties

Compound Name[2-(3-bromophenyl)-2-oxoethyl] carbamate
PubChem CID67555042
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name[2-(3-bromophenyl)-2-oxoethyl] carbamate
SMILESNC(=O)OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C9H8BrNO3/c10-7-3-1-2-6(4-7)8(12)5-14-9(11)13/h1-4H,5H2,(H2,11,13)
InChIKeyAJKOLFWHULBLGK-UHFFFAOYSA-N
XLogP1.73
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenyl)-2-oxoethyl] propanoate
CID 174958294
[2-(3-bromophenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2404662
4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
CID 7931631
1-(3-bromophenyl)-2-iodoethanone
CID 22380807
[2-(3-bromophenyl)-2-oxoethyl] cyclopentanecarboxylate
CID 23939872
[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23856812
[2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873534
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
[2-(3-bromophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416477
[2-(3-bromophenyl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284665
[2-(3-bromophenyl)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2461783

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] carbamate?
The IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] carbamate (CID 67555042) is [2-(3-bromophenyl)-2-oxoethyl] carbamate.
What is the SMILES notation for [2-(3-bromophenyl)-2-oxoethyl] carbamate?
The canonical SMILES for [2-(3-bromophenyl)-2-oxoethyl] carbamate is NC(=O)OCC(=O)c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-2-oxoethyl] carbamate?
The InChIKey is AJKOLFWHULBLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c10-7-3-1-2-6(4-7)8(12)5-14-9(11)13/h1-4H,5H2,(H2,11,13).
What are the key properties of [2-(3-bromophenyl)-2-oxoethyl] carbamate?
[2-(3-bromophenyl)-2-oxoethyl] carbamate has a molecular weight of 258.07 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-2-oxoethyl] carbamate is sourced from PubChem (CID 67555042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).