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

C13H16F3N3O — CID 63767514

IUPAC1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNC(CNC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-3-5-10(6-4-9)19-12(20)18-7-11(17)8-1-2-8/h3-6,8,11H,1-2,7,17H2,(H2,18,19,20)
InChIKeyGNOKEJIJWRFOPY-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.56
Rot. Bonds4

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

1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 63767514) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID63767514
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNC(CNC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-3-5-10(6-4-9)19-12(20)18-7-11(17)8-1-2-8/h3-6,8,11H,1-2,7,17H2,(H2,18,19,20)
InChIKeyGNOKEJIJWRFOPY-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271
1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63732530
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 94797817
1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90499492
1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 67816843
1-(4-aminobutyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 55102555
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-(4-cyanobutyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63297615
1-(cyanomethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61314990
1-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95980208
1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60799942
N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 63767514) is 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea is NC(CNC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is GNOKEJIJWRFOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)9-3-5-10(6-4-9)19-12(20)18-7-11(17)8-1-2-8/h3-6,8,11H,1-2,7,17H2,(H2,18,19,20).
What are the key properties of 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 287.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 63767514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).