ethyl N-(3-bromophenyl)-N-carbamoylcarbamate

C10H11BrN2O3 — CID 3054380

IUPACethyl N-(3-bromophenyl)-N-carbamoylcarbamate
SMILESCCOC(=O)N(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C10H11BrN2O3/c1-2-16-10(15)13(9(12)14)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3,(H2,12,14)
InChIKeyNYCSDKZTPBDZGE-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.49
Rot. Bonds2

About ethyl N-(3-bromophenyl)-N-carbamoylcarbamate

ethyl N-(3-bromophenyl)-N-carbamoylcarbamate (PubChem CID 3054380) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is ethyl N-(3-bromophenyl)-N-carbamoylcarbamate.

Molecular Properties

Compound Nameethyl N-(3-bromophenyl)-N-carbamoylcarbamate
PubChem CID3054380
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Nameethyl N-(3-bromophenyl)-N-carbamoylcarbamate
SMILESCCOC(=O)N(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C10H11BrN2O3/c1-2-16-10(15)13(9(12)14)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3,(H2,12,14)
InChIKeyNYCSDKZTPBDZGE-UHFFFAOYSA-N
XLogP2.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
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N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496
ethyl N-benzoyl-3-bromobenzenecarboximidate
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CID 115186940

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-bromophenyl)-N-carbamoylcarbamate?
The IUPAC name of ethyl N-(3-bromophenyl)-N-carbamoylcarbamate (CID 3054380) is ethyl N-(3-bromophenyl)-N-carbamoylcarbamate.
What is the SMILES notation for ethyl N-(3-bromophenyl)-N-carbamoylcarbamate?
The canonical SMILES for ethyl N-(3-bromophenyl)-N-carbamoylcarbamate is CCOC(=O)N(C(N)=O)c1cccc(Br)c1.
What is the InChIKey of ethyl N-(3-bromophenyl)-N-carbamoylcarbamate?
The InChIKey is NYCSDKZTPBDZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-2-16-10(15)13(9(12)14)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3,(H2,12,14).
What are the key properties of ethyl N-(3-bromophenyl)-N-carbamoylcarbamate?
ethyl N-(3-bromophenyl)-N-carbamoylcarbamate has a molecular weight of 287.11 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-bromophenyl)-N-carbamoylcarbamate is sourced from PubChem (CID 3054380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).