1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea

C15H20F3N3O2 — CID 110890918

IUPAC1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C15H20F3N3O2/c1-20(2)13-6-3-10(15(16,17)18)9-12(13)19-14(23)21(7-8-22)11-4-5-11/h3,6,9,11,22H,4-5,7-8H2,1-2H3,(H,19,23)
InChIKeyYEWCGPDBFBFRMA-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.76
Rot. Bonds5

About 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea (PubChem CID 110890918) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea
PubChem CID110890918
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C15H20F3N3O2/c1-20(2)13-6-3-10(15(16,17)18)9-12(13)19-14(23)21(7-8-22)11-4-5-11/h3,6,9,11,22H,4-5,7-8H2,1-2H3,(H,19,23)
InChIKeyYEWCGPDBFBFRMA-UHFFFAOYSA-N
XLogP2.76
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015166
3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111437751
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 51152144
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460
1-cyclopropyl-1-(2-hydroxyethyl)-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 110903994
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55522102
4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029595
1-(2-hydroxyethyl)-1-(thian-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 122150164
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea (CID 110890918) is 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea?
The InChIKey is YEWCGPDBFBFRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-20(2)13-6-3-10(15(16,17)18)9-12(13)19-14(23)21(7-8-22)11-4-5-11/h3,6,9,11,22H,4-5,7-8H2,1-2H3,(H,19,23).
What are the key properties of 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea has a molecular weight of 331.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110890918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).