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

C20H23BrClN3O3 — CID 108882483

IUPAC1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESO=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H23BrClN3O3/c21-15-6-7-19(16(22)14-15)28-11-3-8-23-20(26)24-17-4-1-2-5-18(17)25-9-12-27-13-10-25/h1-2,4-7,14H,3,8-13H2,(H2,23,24,26)
InChIKeyPKSRMSXAMGWPMA-UHFFFAOYSA-N
MW468.78 g/mol
LogP4.53
Rot. Bonds7

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

1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea (PubChem CID 108882483) has the molecular formula C20H23BrClN3O3 and a molecular weight of 468.78 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea
PubChem CID108882483
Molecular FormulaC20H23BrClN3O3
Molecular Weight468.78 g/mol
Exact Mass467.06
IUPAC Name1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESO=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H23BrClN3O3/c21-15-6-7-19(16(22)14-15)28-11-3-8-23-20(26)24-17-4-1-2-5-18(17)25-9-12-27-13-10-25/h1-2,4-7,14H,3,8-13H2,(H2,23,24,26)
InChIKeyPKSRMSXAMGWPMA-UHFFFAOYSA-N
XLogP4.53
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.78
LogP ≤ 54.53
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-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112975393
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112973391
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108882485
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
CID 108882467
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108882573
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
2-(2-bromo-4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 5021138
4-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]benzoic acid
CID 108882294
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-methylurea
CID 108882470
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
CID 108882534

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea (CID 108882483) is 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea is O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea?
The InChIKey is PKSRMSXAMGWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrClN3O3/c21-15-6-7-19(16(22)14-15)28-11-3-8-23-20(26)24-17-4-1-2-5-18(17)25-9-12-27-13-10-25/h1-2,4-7,14H,3,8-13H2,(H2,23,24,26).
What are the key properties of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea?
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea has a molecular weight of 468.78 g/mol, XLogP of 4.53, 7 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-ylphenyl)urea is sourced from PubChem (CID 108882483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).