1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea

C24H27F3N2O — CID 42697656

IUPAC1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESC/C(=C\c1ccccc1)CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C24H27F3N2O/c1-18(15-19-9-4-2-5-10-19)17-29(22-13-6-3-7-14-22)23(30)28-21-12-8-11-20(16-21)24(25,26)27/h2,4-5,8-12,15-16,22H,3,6-7,13-14,17H2,1H3,(H,28,30)/b18-15+
InChIKeyVXUPURQAFKHYTL-OBGWFSINSA-N
MW416.49 g/mol
LogP6.98
Rot. Bonds5

About 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea

1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 42697656) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID42697656
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESC/C(=C\c1ccccc1)CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C24H27F3N2O/c1-18(15-19-9-4-2-5-10-19)17-29(22-13-6-3-7-14-22)23(30)28-21-12-8-11-20(16-21)24(25,26)27/h2,4-5,8-12,15-16,22H,3,6-7,13-14,17H2,1H3,(H,28,30)/b18-15+
InChIKeyVXUPURQAFKHYTL-OBGWFSINSA-N
XLogP6.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42697658
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 6173194
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1132545
1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42762818
2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113148963
1-(2-benzylideneheptyl)-1-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 5139613
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
4-[3,3-diphenylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]piperidine-1-carboxylic acid
CID 69321680
1-benzyl-1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3487348
1-(2-hydroxyethyl)-1-(thian-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 122150164

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 42697656) is 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea is C/C(=C\c1ccccc1)CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is VXUPURQAFKHYTL-OBGWFSINSA-N. The full InChI is InChI=1S/C24H27F3N2O/c1-18(15-19-9-4-2-5-10-19)17-29(22-13-6-3-7-14-22)23(30)28-21-12-8-11-20(16-21)24(25,26)27/h2,4-5,8-12,15-16,22H,3,6-7,13-14,17H2,1H3,(H,28,30)/b18-15+.
What are the key properties of 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 416.49 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 42697656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).