1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea

C17H17F3N2O4 — CID 47033484

IUPAC1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESCOc1ccccc1C(O)CNC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4/c1-25-15-8-3-2-7-13(15)14(23)10-21-16(24)22-11-5-4-6-12(9-11)26-17(18,19)20/h2-9,14,23H,10H2,1H3,(H2,21,22,24)
InChIKeyRAQLVKMHQOECJR-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.45
Rot. Bonds6

About 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea

1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea (PubChem CID 47033484) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
PubChem CID47033484
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESCOc1ccccc1C(O)CNC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4/c1-25-15-8-3-2-7-13(15)14(23)10-21-16(24)22-11-5-4-6-12(9-11)26-17(18,19)20/h2-9,14,23H,10H2,1H3,(H2,21,22,24)
InChIKeyRAQLVKMHQOECJR-UHFFFAOYSA-N
XLogP3.45
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107838256
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 110891153
1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 38283759
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea
CID 112824759
methyl 6-[[3-(trifluoromethoxy)phenyl]carbamoylamino]hexanoate
CID 87007664
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 46445537
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 94818397
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea (CID 47033484) is 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea is COc1ccccc1C(O)CNC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The InChIKey is RAQLVKMHQOECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-25-15-8-3-2-7-13(15)14(23)10-21-16(24)22-11-5-4-6-12(9-11)26-17(18,19)20/h2-9,14,23H,10H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea?
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea has a molecular weight of 370.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 47033484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).