1-(4-bromophenyl)-3-ethylurea

C9H11BrN2O — CID 4046615

IUPAC1-(4-bromophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12,13)
InChIKeyGUNDEIBZUWFUQA-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.59
Rot. Bonds2

About 1-(4-bromophenyl)-3-ethylurea

1-(4-bromophenyl)-3-ethylurea (PubChem CID 4046615) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-ethylurea
PubChem CID4046615
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name1-(4-bromophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12,13)
InChIKeyGUNDEIBZUWFUQA-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-ethylurea?
The IUPAC name of 1-(4-bromophenyl)-3-ethylurea (CID 4046615) is 1-(4-bromophenyl)-3-ethylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-ethylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-ethylurea is CCNC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-ethylurea?
The InChIKey is GUNDEIBZUWFUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12,13).
What are the key properties of 1-(4-bromophenyl)-3-ethylurea?
1-(4-bromophenyl)-3-ethylurea has a molecular weight of 243.10 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-ethylurea is sourced from PubChem (CID 4046615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).