1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea

C17H18ClN3O2 — CID 2791996

IUPAC1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18ClN3O2/c18-13-1-3-14(4-2-13)19-17(22)20-15-5-7-16(8-6-15)21-9-11-23-12-10-21/h1-8H,9-12H2,(H2,19,20,22)
InChIKeyWXKWWESRYLDVBU-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.82
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea

1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea (PubChem CID 2791996) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea
PubChem CID2791996
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18ClN3O2/c18-13-1-3-14(4-2-13)19-17(22)20-15-5-7-16(8-6-15)21-9-11-23-12-10-21/h1-8H,9-12H2,(H2,19,20,22)
InChIKeyWXKWWESRYLDVBU-UHFFFAOYSA-N
XLogP3.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
N-(3,4-dichlorophenyl)morpholine-4-carboxamide
CID 3863406
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
[4-(4-Chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
CID 976980
N-(4-Chloro-phenyl)-3-morpholin-4-yl-propionamide
CID 24746939
4-(4-chlorophenyl)-N-cyclohexylpiperazine-1-carboxamide
CID 4416918
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 841905
N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide
CID 858193
Cambridge id 5628081
CID 234240
N-(4-anilinophenyl)-4-morpholinecarboxamide
CID 752006
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]urea
CID 873825

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea (CID 2791996) is 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea?
The InChIKey is WXKWWESRYLDVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-1-3-14(4-2-13)19-17(22)20-15-5-7-16(8-6-15)21-9-11-23-12-10-21/h1-8H,9-12H2,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea?
1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea has a molecular weight of 331.80 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 2791996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).