1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea

C16H23BrClN3O3 — CID 108882401

IUPAC1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCCOc1ccc(Br)cc1Cl)NCCN1CCOCC1
InChIInChI=1S/C16H23BrClN3O3/c17-13-2-3-15(14(18)12-13)24-9-1-4-19-16(22)20-5-6-21-7-10-23-11-8-21/h2-3,12H,1,4-11H2,(H2,19,20,22)
InChIKeyZEOVVJPCZCRRRC-UHFFFAOYSA-N
MW420.74 g/mol
LogP2.50
Rot. Bonds8

About 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea

1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 108882401) has the molecular formula C16H23BrClN3O3 and a molecular weight of 420.74 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID108882401
Molecular FormulaC16H23BrClN3O3
Molecular Weight420.74 g/mol
Exact Mass419.06
IUPAC Name1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCCOc1ccc(Br)cc1Cl)NCCN1CCOCC1
InChIInChI=1S/C16H23BrClN3O3/c17-13-2-3-15(14(18)12-13)24-9-1-4-19-16(22)20-5-6-21-7-10-23-11-8-21/h2-3,12H,1,4-11H2,(H2,19,20,22)
InChIKeyZEOVVJPCZCRRRC-UHFFFAOYSA-N
XLogP2.50
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.74
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108882483
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
CID 108882534
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-methylurea
CID 108882470
1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974407
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108882485
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[(4-fluorophenyl)methyl]urea
CID 108882522
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108882550
4-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]benzoic acid
CID 108882294
1-[4-(4-bromo-2-chlorophenoxy)butyl]pyrrolidine;oxalic acid
CID 2923768

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea (CID 108882401) is 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea is O=C(NCCCOc1ccc(Br)cc1Cl)NCCN1CCOCC1.
What is the InChIKey of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is ZEOVVJPCZCRRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN3O3/c17-13-2-3-15(14(18)12-13)24-9-1-4-19-16(22)20-5-6-21-7-10-23-11-8-21/h2-3,12H,1,4-11H2,(H2,19,20,22).
What are the key properties of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea?
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 420.74 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 108882401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).