1-(4-bromophenyl)-3-tert-butylurea

C11H15BrN2O — CID 6467888

IUPAC1-(4-bromophenyl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)14-10(15)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyCZLXOCCNTHUAFY-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.37
Rot. Bonds1

About 1-(4-bromophenyl)-3-tert-butylurea

1-(4-bromophenyl)-3-tert-butylurea (PubChem CID 6467888) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-tert-butylurea
PubChem CID6467888
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-(4-bromophenyl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)14-10(15)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyCZLXOCCNTHUAFY-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.37
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-tert-butylurea?
The IUPAC name of 1-(4-bromophenyl)-3-tert-butylurea (CID 6467888) is 1-(4-bromophenyl)-3-tert-butylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-tert-butylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-tert-butylurea is CC(C)(C)NC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-tert-butylurea?
The InChIKey is CZLXOCCNTHUAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(2,3)14-10(15)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 1-(4-bromophenyl)-3-tert-butylurea?
1-(4-bromophenyl)-3-tert-butylurea has a molecular weight of 271.16 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-tert-butylurea is sourced from PubChem (CID 6467888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).