1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea

C18H20ClN3O2 — CID 51242905

IUPAC1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C18H20ClN3O2/c19-15-6-7-17(22-8-10-24-11-9-22)16(12-15)21-18(23)20-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,20,21,23)
InChIKeyFGHAUQHYKUDKPB-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.50
Rot. Bonds4

About 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea

1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea (PubChem CID 51242905) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
PubChem CID51242905
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C18H20ClN3O2/c19-15-6-7-17(22-8-10-24-11-9-22)16(12-15)21-18(23)20-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,20,21,23)
InChIKeyFGHAUQHYKUDKPB-UHFFFAOYSA-N
XLogP3.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55695181
1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
CID 50791903
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074139
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320
1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55695180
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108507752
1-benzyl-3-(5-chloro-2-pyrrolidin-1-ylphenyl)thiourea
CID 8684114
1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea
CID 47829113
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142
1-benzyl-3-(2-bromo-5-chlorophenyl)urea
CID 103786178
N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide
CID 4963910

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea (CID 51242905) is 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea is O=C(NCc1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea?
The InChIKey is FGHAUQHYKUDKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-6-7-17(22-8-10-24-11-9-22)16(12-15)21-18(23)20-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,20,21,23).
What are the key properties of 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea?
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea has a molecular weight of 345.83 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 51242905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).