1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea

C17H16ClN3O3 — CID 110363575

IUPAC1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O3/c18-12-2-1-3-14(10-12)20-17(23)19-13-4-6-15(7-5-13)21-8-9-24-11-16(21)22/h1-7,10H,8-9,11H2,(H2,19,20,23)
InChIKeyRDSGAKMNQXLCLH-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.35
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea

1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea (PubChem CID 110363575) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
PubChem CID110363575
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O3/c18-12-2-1-3-14(10-12)20-17(23)19-13-4-6-15(7-5-13)21-8-9-24-11-16(21)22/h1-7,10H,8-9,11H2,(H2,19,20,23)
InChIKeyRDSGAKMNQXLCLH-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110617707
1-(3-chlorophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 110874868
3-(3-fluorophenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110611038
1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea
CID 3576575
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352
1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363597
CID 168763640
CID 168763640

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea (CID 110363575) is 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea is O=C(Nc1ccc(N2CCOCC2=O)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
The InChIKey is RDSGAKMNQXLCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-12-2-1-3-14(10-12)20-17(23)19-13-4-6-15(7-5-13)21-8-9-24-11-16(21)22/h1-7,10H,8-9,11H2,(H2,19,20,23).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea?
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea has a molecular weight of 345.79 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea is sourced from PubChem (CID 110363575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).