1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea

C21H23F3N2O — CID 164665723

IUPAC1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESC=C(CC(C)(C)CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C21H23F3N2O/c1-15(16-8-5-4-6-9-16)13-20(2,3)14-25-19(27)26-18-11-7-10-17(12-18)21(22,23)24/h4-12H,1,13-14H2,2-3H3,(H2,25,26,27)
InChIKeyVFYKITAQIICJNW-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.96
Rot. Bonds6

About 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 164665723) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID164665723
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESC=C(CC(C)(C)CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C21H23F3N2O/c1-15(16-8-5-4-6-9-16)13-20(2,3)14-25-19(27)26-18-11-7-10-17(12-18)21(22,23)24/h4-12H,1,13-14H2,2-3H3,(H2,25,26,27)
InChIKeyVFYKITAQIICJNW-UHFFFAOYSA-N
XLogP5.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(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-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea
CID 146169849
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90501203
1-[2,2-dimethyl-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 20818736
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
4-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 28511821

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 164665723) is 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea is C=C(CC(C)(C)CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is VFYKITAQIICJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-15(16-8-5-4-6-9-16)13-20(2,3)14-25-19(27)26-18-11-7-10-17(12-18)21(22,23)24/h4-12H,1,13-14H2,2-3H3,(H2,25,26,27).
What are the key properties of 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 376.42 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 164665723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).