1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea

C10H12BrClN2O — CID 6467204

IUPAC1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2O/c1-6(2)13-10(15)14-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyGGWCBJOKBYELSR-UHFFFAOYSA-N
MW291.58 g/mol
LogP3.63
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea

1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea (PubChem CID 6467204) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea
PubChem CID6467204
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2O/c1-6(2)13-10(15)14-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyGGWCBJOKBYELSR-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea (CID 6467204) is 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea?
The InChIKey is GGWCBJOKBYELSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-6(2)13-10(15)14-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea?
1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea has a molecular weight of 291.58 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-propan-2-ylurea is sourced from PubChem (CID 6467204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).