1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea

C16H23Cl2N3O2 — CID 60593286

IUPAC1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H23Cl2N3O2/c17-14-10-13(11-15(18)12-14)2-4-20-16(22)19-3-1-5-21-6-8-23-9-7-21/h10-12H,1-9H2,(H2,19,20,22)
InChIKeyVZNCELXVIMORNE-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.56
Rot. Bonds7

About 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea

1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 60593286) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID60593286
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H23Cl2N3O2/c17-14-10-13(11-15(18)12-14)2-4-20-16(22)19-3-1-5-21-6-8-23-9-7-21/h10-12H,1-9H2,(H2,19,20,22)
InChIKeyVZNCELXVIMORNE-UHFFFAOYSA-N
XLogP2.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.56
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-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea
CID 99816188
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 84586646
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 113217434
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea (CID 60593286) is 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea is O=C(NCCCN1CCOCC1)NCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is VZNCELXVIMORNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2/c17-14-10-13(11-15(18)12-14)2-4-20-16(22)19-3-1-5-21-6-8-23-9-7-21/h10-12H,1-9H2,(H2,19,20,22).
What are the key properties of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea?
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 360.29 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 60593286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).