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

C13H18ClN3O3 — CID 110417399

IUPAC1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea
SMILESO=C(NOCCN1CCOCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O3/c14-11-2-1-3-12(10-11)15-13(18)16-20-9-6-17-4-7-19-8-5-17/h1-3,10H,4-9H2,(H2,15,16,18)
InChIKeyJPFQQHVBMCIIOV-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.73
Rot. Bonds5

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

1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea (PubChem CID 110417399) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea
PubChem CID110417399
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea
SMILESO=C(NOCCN1CCOCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O3/c14-11-2-1-3-12(10-11)15-13(18)16-20-9-6-17-4-7-19-8-5-17/h1-3,10H,4-9H2,(H2,15,16,18)
InChIKeyJPFQQHVBMCIIOV-UHFFFAOYSA-N
XLogP1.73
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973663
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
1-(3-chlorophenyl)-3-(methoxymethoxy)urea
CID 110495475
3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417469
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
N-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179916
4-(3-chloroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 2954468
1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea
CID 47829113
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide
CID 92987988

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea (CID 110417399) is 1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea is O=C(NOCCN1CCOCC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea?
The InChIKey is JPFQQHVBMCIIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c14-11-2-1-3-12(10-11)15-13(18)16-20-9-6-17-4-7-19-8-5-17/h1-3,10H,4-9H2,(H2,15,16,18).
What are the key properties of 1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea?
1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea has a molecular weight of 299.76 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea is sourced from PubChem (CID 110417399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).