1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea

C10H12F3N3O — CID 3355311

IUPAC1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCN(C)NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O/c1-16(2)15-9(17)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H2,14,15,17)
InChIKeyYEAMESWUEAOOCR-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.30
Rot. Bonds2

About 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea

1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 3355311) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID3355311
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCN(C)NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O/c1-16(2)15-9(17)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H2,14,15,17)
InChIKeyYEAMESWUEAOOCR-UHFFFAOYSA-N
XLogP2.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea (CID 3355311) is 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea is CN(C)NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is YEAMESWUEAOOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-16(2)15-9(17)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H2,14,15,17).
What are the key properties of 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea?
1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 247.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 3355311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).