1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea

C11H14BrClN2O2 — CID 2211253

IUPAC1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O2/c1-17-6-2-5-14-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16)
InChIKeyAUANBGDBXIOMFM-UHFFFAOYSA-N
MW321.60 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea

1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea (PubChem CID 2211253) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea
PubChem CID2211253
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O2/c1-17-6-2-5-14-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16)
InChIKeyAUANBGDBXIOMFM-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Chlorbromuron
CID 25912
Mls000756417
CID 302780
N-(4-bromo-2-chlorophenyl)-N'-(3-hydroxypropyl)thiourea
CID 2731282
1-(4-Bromo-2-chlorophenyl)-3-methylthiourea
CID 2240581
1-(4-Bromo-2-chlorophenyl)-3-(3-ethoxypropyl)thiourea
CID 3901767
N-(4-bromo-2-chlorophenyl)-N'-cyclopropylurea
CID 6466991
1-(4-Bromo-2-chlorophenyl)-3-propan-2-ylurea
CID 6467204
N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide
CID 2956092
1-(4-Bromo-2-chlorophenyl)-3-butan-2-ylurea
CID 6466772
N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 6464864
N-(4-Bromo-2-chlorophenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 17299490
N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide
CID 6464492

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea (CID 2211253) is 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea is COCCCNC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea?
The InChIKey is AUANBGDBXIOMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-17-6-2-5-14-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea?
1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea has a molecular weight of 321.60 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 2211253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).