1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea

C14H14BrN3O2 — CID 108887175

IUPAC1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1cc(Br)ccn1
InChIInChI=1S/C14H14BrN3O2/c15-11-6-7-16-13(10-11)18-14(19)17-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,16,17,18,19)
InChIKeyUWESSXWSNGJRNR-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.04
Rot. Bonds5

About 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea

1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea (PubChem CID 108887175) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
PubChem CID108887175
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1cc(Br)ccn1
InChIInChI=1S/C14H14BrN3O2/c15-11-6-7-16-13(10-11)18-14(19)17-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,16,17,18,19)
InChIKeyUWESSXWSNGJRNR-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.04
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-(4-bromo-2-pyridinyl)-3-propylurea
CID 102820656
1-(4-bromo-2-pyridinyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877451
tert-butyl N-[2-[(4-bromo-2-pyridinyl)carbamoylamino]ethyl]carbamate
CID 108864612
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898437
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
1-(4-bromo-2-methylphenyl)-3-(3-phenoxypropyl)urea
CID 108883260
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
CID 108882467
1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883302
1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883164
4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate
CID 158773568
1-(4-bromo-2-pyridinyl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 99800169
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea (CID 108887175) is 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea is O=C(NCCOc1ccccc1)Nc1cc(Br)ccn1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea?
The InChIKey is UWESSXWSNGJRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-11-6-7-16-13(10-11)18-14(19)17-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,16,17,18,19).
What are the key properties of 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea?
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea has a molecular weight of 336.19 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 108887175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).