1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

C18H23F3N2O3 — CID 5176150

IUPAC1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
SMILESCC(C)N(C(=O)NC1(C(F)(F)F)Oc2ccccc2O1)C1CCCCC1
InChIInChI=1S/C18H23F3N2O3/c1-12(2)23(13-8-4-3-5-9-13)16(24)22-18(17(19,20)21)25-14-10-6-7-11-15(14)26-18/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,24)
InChIKeyJMNHRJOPYBKYDI-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.43
Rot. Bonds3

About 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea (PubChem CID 5176150) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
PubChem CID5176150
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
SMILESCC(C)N(C(=O)NC1(C(F)(F)F)Oc2ccccc2O1)C1CCCCC1
InChIInChI=1S/C18H23F3N2O3/c1-12(2)23(13-8-4-3-5-9-13)16(24)22-18(17(19,20)21)25-14-10-6-7-11-15(14)26-18/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,24)
InChIKeyJMNHRJOPYBKYDI-UHFFFAOYSA-N
XLogP4.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dicyclohexyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 2160656
1-(3,3-diphenylpropyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 2160649
1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea
CID 5062915
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 136517168
N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide
CID 56518152
2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8793679
1-(4-methyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 993023
3-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid
CID 58375867
1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid
CID 90738858
N-cyclohexyl-4-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 58375984
1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-2-ylethyl)urea
CID 3445678

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
The IUPAC name of 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea (CID 5176150) is 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is CC(C)N(C(=O)NC1(C(F)(F)F)Oc2ccccc2O1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
The InChIKey is JMNHRJOPYBKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-12(2)23(13-8-4-3-5-9-13)16(24)22-18(17(19,20)21)25-14-10-6-7-11-15(14)26-18/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,24).
What are the key properties of 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea has a molecular weight of 372.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-propan-2-yl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is sourced from PubChem (CID 5176150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).