1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea

C14H17F3N4O3 — CID 89040040

IUPAC1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea
SMILESO=Nc1ccc(NC(=O)NCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N4O3/c15-14(16,17)11-9-10(20-23)1-2-12(11)19-13(22)18-3-4-21-5-7-24-8-6-21/h1-2,9H,3-8H2,(H2,18,19,22)
InChIKeyYSSPJJRNVHMTCA-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea

1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea (PubChem CID 89040040) has the molecular formula C14H17F3N4O3 and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea
PubChem CID89040040
Molecular FormulaC14H17F3N4O3
Molecular Weight346.31 g/mol
Exact Mass346.13
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea
SMILESO=Nc1ccc(NC(=O)NCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N4O3/c15-14(16,17)11-9-10(20-23)1-2-12(11)19-13(22)18-3-4-21-5-7-24-8-6-21/h1-2,9H,3-8H2,(H2,18,19,22)
InChIKeyYSSPJJRNVHMTCA-UHFFFAOYSA-N
XLogP2.56
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea
CID 2811707
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
1-(1H-indol-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 7615967
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109229551
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72931434
2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134065021
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 108873272
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea (CID 89040040) is 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea is O=Nc1ccc(NC(=O)NCCN2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea?
The InChIKey is YSSPJJRNVHMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3/c15-14(16,17)11-9-10(20-23)1-2-12(11)19-13(22)18-3-4-21-5-7-24-8-6-21/h1-2,9H,3-8H2,(H2,18,19,22).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea?
1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea has a molecular weight of 346.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 89040040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).