1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea

C20H24ClN3O3 — CID 25014696

IUPAC1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C20H24ClN3O3/c21-16-5-7-17(8-6-16)22-20(25)23-18-3-1-4-19(15-18)27-12-2-9-24-10-13-26-14-11-24/h1,3-8,15H,2,9-14H2,(H2,22,23,25)
InChIKeyZRAKMKLASRCXJL-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.09
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea

1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea (PubChem CID 25014696) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
PubChem CID25014696
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C20H24ClN3O3/c21-16-5-7-17(8-6-16)22-20(25)23-18-3-1-4-19(15-18)27-12-2-9-24-10-13-26-14-11-24/h1,3-8,15H,2,9-14H2,(H2,22,23,25)
InChIKeyZRAKMKLASRCXJL-UHFFFAOYSA-N
XLogP4.09
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.09
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-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
1-(4-Chloro-phenyl)-3-[4-(4-fluoro-phenoxy)-cyclohexyl]-urea
CID 11581328
1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015206
2-Ethyl-N-(3-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16018053
1-(2,6-Dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea
CID 71625599
1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625710
1-(3,5-Dichlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625711
3-[(Morpholin-4-ylcarbonyl)amino]phenyl piperidine-1-carboxylate
CID 831789
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 4286043
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 10761912

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea (CID 25014696) is 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(OCCCN2CCOCC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The InChIKey is ZRAKMKLASRCXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-16-5-7-17(8-6-16)22-20(25)23-18-3-1-4-19(15-18)27-12-2-9-24-10-13-26-14-11-24/h1,3-8,15H,2,9-14H2,(H2,22,23,25).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea has a molecular weight of 389.88 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea is sourced from PubChem (CID 25014696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).