1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea

C15H19F3N2O — CID 24664741

IUPAC1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCc1ccccc1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-6-8-13(9-7-12)20-14(21)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H2,19,20,21)
InChIKeyGTYRPNQRQNXWRM-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.61
Rot. Bonds3

About 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea

1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 24664741) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID24664741
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCc1ccccc1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-6-8-13(9-7-12)20-14(21)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H2,19,20,21)
InChIKeyGTYRPNQRQNXWRM-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 36975883
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 51082353
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
CID 55104129
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
1-benzyl-3-(cyclohexylcarbamothioyl)urea
CID 134871380
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 24664741) is 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea is O=C(NCc1ccccc1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is GTYRPNQRQNXWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-6-8-13(9-7-12)20-14(21)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 300.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 24664741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).