1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea

C18H20ClN3O2 — CID 47829113

IUPAC1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1N1CCOCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-15-5-3-6-16(12-15)21-18(23)20-13-14-4-1-2-7-17(14)22-8-10-24-11-9-22/h1-7,12H,8-11,13H2,(H2,20,21,23)
InChIKeyCBFGUNKTRXFEQP-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea

1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea (PubChem CID 47829113) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea
PubChem CID47829113
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1N1CCOCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-15-5-3-6-16(12-15)21-18(23)20-13-14-4-1-2-7-17(14)22-8-10-24-11-9-22/h1-7,12H,8-11,13H2,(H2,20,21,23)
InChIKeyCBFGUNKTRXFEQP-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-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108897210
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
4-acetamido-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 47788856
1-(3-chlorophenyl)-3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea
CID 110775214
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea (CID 47829113) is 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea is O=C(NCc1ccccc1N1CCOCC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea?
The InChIKey is CBFGUNKTRXFEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-5-3-6-16(12-15)21-18(23)20-13-14-4-1-2-7-17(14)22-8-10-24-11-9-22/h1-7,12H,8-11,13H2,(H2,20,21,23).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea?
1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]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-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 47829113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).