1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea

C15H17F3N2O — CID 162524390

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESC[C@H](NC(=O)NC12CC(C1)C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O/c1-9(11-3-2-4-12(5-11)15(16,17)18)19-13(21)20-14-6-10(7-14)8-14/h2-5,9-10H,6-8H2,1H3,(H2,19,20,21)/t9-,10?,14?/m0/s1
InChIKeyOCKVJNSJMFSLCS-IPWFMCSPSA-N
MW298.31 g/mol
LogP3.62
Rot. Bonds3

About 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea

1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 162524390) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID162524390
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESC[C@H](NC(=O)NC12CC(C1)C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O/c1-9(11-3-2-4-12(5-11)15(16,17)18)19-13(21)20-14-6-10(7-14)8-14/h2-5,9-10H,6-8H2,1H3,(H2,19,20,21)/t9-,10?,14?/m0/s1
InChIKeyOCKVJNSJMFSLCS-IPWFMCSPSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]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-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
1-Benzyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 790168
1-Cyclohexyl-3-(1-phenylethyl)urea
CID 2930832
1-cyclohexyl-3-[(1S)-1-phenylethyl]urea
CID 840472
N-Benzyl-N'-tert-butylurea
CID 306574
1-[2-(Diethylamino)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2307820
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
Urea, 1-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 98051
N-(sec-butyl)-N'-(2-fluorobenzyl)urea
CID 2949724
N-[2-(4-fluorophenyl)ethyl]-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 713031
N-cyclopentyl-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 753414
Urea, N-(1-methylethyl)-N'-(phenylmethyl)-
CID 3860889

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 162524390) is 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea is C[C@H](NC(=O)NC12CC(C1)C2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is OCKVJNSJMFSLCS-IPWFMCSPSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-9(11-3-2-4-12(5-11)15(16,17)18)19-13(21)20-14-6-10(7-14)8-14/h2-5,9-10H,6-8H2,1H3,(H2,19,20,21)/t9-,10?,14?/m0/s1.
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 298.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 162524390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).