1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea

C13H17Cl2N3O3 — CID 22932427

IUPAC1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O3/c14-10-7-9(8-11(15)12(10)19)17-13(20)16-1-2-18-3-5-21-6-4-18/h7-8,19H,1-6H2,(H2,16,17,20)
InChIKeySRGPXDDXGUPIGX-UHFFFAOYSA-N
MW334.20 g/mol
LogP2.15
Rot. Bonds4

About 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea

1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 22932427) has the molecular formula C13H17Cl2N3O3 and a molecular weight of 334.20 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID22932427
Molecular FormulaC13H17Cl2N3O3
Molecular Weight334.20 g/mol
Exact Mass333.06
IUPAC Name1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O3/c14-10-7-9(8-11(15)12(10)19)17-13(20)16-1-2-18-3-5-21-6-4-18/h7-8,19H,1-6H2,(H2,16,17,20)
InChIKeySRGPXDDXGUPIGX-UHFFFAOYSA-N
XLogP2.15
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 118789628
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 60543377
N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944127
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
CID 119048905
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
CID 158422773
1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea
CID 82884668
1-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133945
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea (CID 22932427) is 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is SRGPXDDXGUPIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O3/c14-10-7-9(8-11(15)12(10)19)17-13(20)16-1-2-18-3-5-21-6-4-18/h7-8,19H,1-6H2,(H2,16,17,20).
What are the key properties of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 334.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 22932427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).