1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea

C17H23F3N2O3 — CID 95975281

IUPAC1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O3/c1-24-12-8-9-14(25-2)13(10-12)21-16(23)22-15(17(18,19)20)11-6-4-3-5-7-11/h8-11,15H,3-7H2,1-2H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyDHRCKWHUMRREFV-OAHLLOKOSA-N
MW360.38 g/mol
LogP4.34
Rot. Bonds5

About 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea

1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea (PubChem CID 95975281) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea
PubChem CID95975281
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O3/c1-24-12-8-9-14(25-2)13(10-12)21-16(23)22-15(17(18,19)20)11-6-4-3-5-7-11/h8-11,15H,3-7H2,1-2H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyDHRCKWHUMRREFV-OAHLLOKOSA-N
XLogP4.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
methyl 3-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoylamino]-4-fluorobenzoate
CID 75439115
methyl 3-[[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]carbamoylamino]-4-fluorobenzoate
CID 97332421
1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea
CID 108912082
methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 51426599
(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181766
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979497
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
CID 130388233
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea (CID 95975281) is 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1.
What is the InChIKey of 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is DHRCKWHUMRREFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-24-12-8-9-14(25-2)13(10-12)21-16(23)22-15(17(18,19)20)11-6-4-3-5-7-11/h8-11,15H,3-7H2,1-2H3,(H2,21,22,23)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea?
1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 360.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 95975281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).