1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea

C17H18ClN3O2 — CID 53250591

IUPAC1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c18-13-2-1-3-15(10-13)21-17(22)20-14-6-4-12(5-7-14)16-11-19-8-9-23-16/h1-7,10,16,19H,8-9,11H2,(H2,20,21,22)
InChIKeyNQMYZWASXVDGBG-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.64
Rot. Bonds3

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

1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea (PubChem CID 53250591) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea
PubChem CID53250591
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c18-13-2-1-3-15(10-13)21-17(22)20-14-6-4-12(5-7-14)16-11-19-8-9-23-16/h1-7,10,16,19H,8-9,11H2,(H2,20,21,22)
InChIKeyNQMYZWASXVDGBG-UHFFFAOYSA-N
XLogP3.64
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea (CID 53250591) is 1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea is O=C(Nc1ccc(C2CNCCO2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea?
The InChIKey is NQMYZWASXVDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-2-1-3-15(10-13)21-17(22)20-14-6-4-12(5-7-14)16-11-19-8-9-23-16/h1-7,10,16,19H,8-9,11H2,(H2,20,21,22).
What are the key properties of 1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea?
1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea has a molecular weight of 331.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea is sourced from PubChem (CID 53250591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).