1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea

C15H15F3N2O2 — CID 99873238

IUPAC1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESC[C@@H](Cc1ccoc1)NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2/c1-10(8-11-6-7-22-9-11)19-14(21)20-13-4-2-12(3-5-13)15(16,17)18/h2-7,9-10H,8H2,1H3,(H2,19,20,21)/t10-/m0/s1
InChIKeyWDVPMGFJTGJIDG-JTQLQIEISA-N
MW312.29 g/mol
LogP4.05
Rot. Bonds4

About 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 99873238) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID99873238
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESC[C@@H](Cc1ccoc1)NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2/c1-10(8-11-6-7-22-9-11)19-14(21)20-13-4-2-12(3-5-13)15(16,17)18/h2-7,9-10H,8H2,1H3,(H2,19,20,21)/t10-/m0/s1
InChIKeyWDVPMGFJTGJIDG-JTQLQIEISA-N
XLogP4.05
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-1-(furan-3-yl)propan-2-yl]-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

1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90558521
1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea
CID 121127180
1-[1-(furan-3-yl)propan-2-yl]-3-propylurea
CID 121127163
1-(3-oxopentan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 64994242
1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95986802
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoic acid
CID 71569670
2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide
CID 121127052
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 97106421
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 99873238) is 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea is C[C@@H](Cc1ccoc1)NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is WDVPMGFJTGJIDG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-10(8-11-6-7-22-9-11)19-14(21)20-13-4-2-12(3-5-13)15(16,17)18/h2-7,9-10H,8H2,1H3,(H2,19,20,21)/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 312.29 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 99873238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).