3-(4-bromophenyl)-1,1-diethylurea

C11H15BrN2O — CID 735609

IUPAC3-(4-bromophenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-3-14(4-2)11(15)13-10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyHSAGFECTAIXETP-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.32
Rot. Bonds3

About 3-(4-bromophenyl)-1,1-diethylurea

3-(4-bromophenyl)-1,1-diethylurea (PubChem CID 735609) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,1-diethylurea
PubChem CID735609
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-(4-bromophenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-3-14(4-2)11(15)13-10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyHSAGFECTAIXETP-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,1-diethylurea?
The IUPAC name of 3-(4-bromophenyl)-1,1-diethylurea (CID 735609) is 3-(4-bromophenyl)-1,1-diethylurea.
What is the SMILES notation for 3-(4-bromophenyl)-1,1-diethylurea?
The canonical SMILES for 3-(4-bromophenyl)-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1,1-diethylurea?
The InChIKey is HSAGFECTAIXETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-14(4-2)11(15)13-10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-(4-bromophenyl)-1,1-diethylurea?
3-(4-bromophenyl)-1,1-diethylurea has a molecular weight of 271.16 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,1-diethylurea is sourced from PubChem (CID 735609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).