1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea

C14H15BrN2O3 — CID 47322764

IUPAC1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCCOc1cccc(Br)c1)NCc1ccco1
InChIInChI=1S/C14H15BrN2O3/c15-11-3-1-4-12(9-11)20-8-6-16-14(18)17-10-13-5-2-7-19-13/h1-5,7,9H,6,8,10H2,(H2,16,17,18)
InChIKeyBQLLQHRBVUFVAG-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea

1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea (PubChem CID 47322764) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
PubChem CID47322764
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCCOc1cccc(Br)c1)NCc1ccco1
InChIInChI=1S/C14H15BrN2O3/c15-11-3-1-4-12(9-11)20-8-6-16-14(18)17-10-13-5-2-7-19-13/h1-5,7,9H,6,8,10H2,(H2,16,17,18)
InChIKeyBQLLQHRBVUFVAG-UHFFFAOYSA-N
XLogP2.92
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
1-[2-(3-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971155
2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60601838
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
2-[2-(3-bromophenoxy)ethoxymethyl]furan
CID 54970802
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809
N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55919724

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea (CID 47322764) is 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea is O=C(NCCOc1cccc(Br)c1)NCc1ccco1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is BQLLQHRBVUFVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-11-3-1-4-12(9-11)20-8-6-16-14(18)17-10-13-5-2-7-19-13/h1-5,7,9H,6,8,10H2,(H2,16,17,18).
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea?
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 339.19 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 47322764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).