[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea

C17H17F3N2O2 — CID 141484569

IUPAC[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
SMILESCC(C)(O)c1cccc(-c2ccc(C(F)(F)F)cc2NC(N)=O)c1
InChIInChI=1S/C17H17F3N2O2/c1-16(2,24)11-5-3-4-10(8-11)13-7-6-12(17(18,19)20)9-14(13)22-15(21)23/h3-9,24H,1-2H3,(H3,21,22,23)
InChIKeyNDVLLKKBPCXOJP-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.09
Rot. Bonds3

About [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea

[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea (PubChem CID 141484569) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
PubChem CID141484569
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
SMILESCC(C)(O)c1cccc(-c2ccc(C(F)(F)F)cc2NC(N)=O)c1
InChIInChI=1S/C17H17F3N2O2/c1-16(2,24)11-5-3-4-10(8-11)13-7-6-12(17(18,19)20)9-14(13)22-15(21)23/h3-9,24H,1-2H3,(H3,21,22,23)
InChIKeyNDVLLKKBPCXOJP-UHFFFAOYSA-N
XLogP4.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 162534936
[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
CID 141484585
[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
CID 141484570
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
CID 122422474
[[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea
CID 168532329
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea (CID 141484569) is [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea is CC(C)(O)c1cccc(-c2ccc(C(F)(F)F)cc2NC(N)=O)c1.
What is the InChIKey of [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea?
The InChIKey is NDVLLKKBPCXOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-16(2,24)11-5-3-4-10(8-11)13-7-6-12(17(18,19)20)9-14(13)22-15(21)23/h3-9,24H,1-2H3,(H3,21,22,23).
What are the key properties of [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea?
[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 141484569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).