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

C20H23Cl2N3O2 — CID 663875

IUPAC3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCN1CCOCC1)Cc1cccc(Cl)c1
InChIInChI=1S/C20H23Cl2N3O2/c21-17-4-1-3-16(13-17)15-25(8-7-24-9-11-27-12-10-24)20(26)23-19-6-2-5-18(22)14-19/h1-6,13-14H,7-12,15H2,(H,23,26)
InChIKeyRMOYDWFXHRZZOY-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.36
Rot. Bonds6

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

3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 663875) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID663875
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCN1CCOCC1)Cc1cccc(Cl)c1
InChIInChI=1S/C20H23Cl2N3O2/c21-17-4-1-3-16(13-17)15-25(8-7-24-9-11-27-12-10-24)20(26)23-19-6-2-5-18(22)14-19/h1-6,13-14H,7-12,15H2,(H,23,26)
InChIKeyRMOYDWFXHRZZOY-UHFFFAOYSA-N
XLogP4.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea (CID 663875) is 3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea is O=C(Nc1cccc(Cl)c1)N(CCN1CCOCC1)Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is RMOYDWFXHRZZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c21-17-4-1-3-16(13-17)15-25(8-7-24-9-11-27-12-10-24)20(26)23-19-6-2-5-18(22)14-19/h1-6,13-14H,7-12,15H2,(H,23,26).
What are the key properties of 3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 408.33 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 663875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).