1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea

C17H17Cl2N3O2 — CID 1188017

IUPAC1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-15-6-3-13(11-16(15)19)21-17(23)20-12-1-4-14(5-2-12)22-7-9-24-10-8-22/h1-6,11H,7-10H2,(H2,20,21,23)
InChIKeyQMPITUICLNYWSH-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.47
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea

1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea (PubChem CID 1188017) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea
PubChem CID1188017
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-15-6-3-13(11-16(15)19)21-17(23)20-12-1-4-14(5-2-12)22-7-9-24-10-8-22/h1-6,11H,7-10H2,(H2,20,21,23)
InChIKeyQMPITUICLNYWSH-UHFFFAOYSA-N
XLogP4.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.47
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
Cambridge id 5628081
CID 234240
N-(3,4-dichlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 878979
N-(3,4-dichlorophenyl)-1,4'-bipiperidine-1'-carboxamide
CID 3239572
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]urea
CID 873825
N-(3,4-dichlorophenyl)-4-[[(2S)-4-ethylmorpholin-2-yl]methyl]piperazine-1-carboxamide
CID 11711078
N-(3,4-dichlorophenyl)-4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-carboxamide
CID 57656641
N-(3,4-dichlorophenyl)-4-(4-ethylmorpholine-2-carbonyl)piperazine-1-carboxamide
CID 57656729
4-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 57656869

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea (CID 1188017) is 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea is O=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea?
The InChIKey is QMPITUICLNYWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-15-6-3-13(11-16(15)19)21-17(23)20-12-1-4-14(5-2-12)22-7-9-24-10-8-22/h1-6,11H,7-10H2,(H2,20,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea?
1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea has a molecular weight of 366.25 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 1188017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).