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

C14H19F3N4O2 — CID 59427886

IUPAC1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESNc1ccc(NC(=O)NCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)11-9-10(18)1-2-12(11)20-13(22)19-3-4-21-5-7-23-8-6-21/h1-2,9H,3-8,18H2,(H2,19,20,22)
InChIKeyYRVMIMPDBRFHLM-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.74
Rot. Bonds4

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

1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 59427886) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID59427886
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESNc1ccc(NC(=O)NCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)11-9-10(18)1-2-12(11)20-13(22)19-3-4-21-5-7-23-8-6-21/h1-2,9H,3-8,18H2,(H2,19,20,22)
InChIKeyYRVMIMPDBRFHLM-UHFFFAOYSA-N
XLogP1.74
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea (CID 59427886) is 1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea is Nc1ccc(NC(=O)NCCN2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is YRVMIMPDBRFHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c15-14(16,17)11-9-10(18)1-2-12(11)20-13(22)19-3-4-21-5-7-23-8-6-21/h1-2,9H,3-8,18H2,(H2,19,20,22).
What are the key properties of 1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 332.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(trifluoromethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 59427886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).