1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C12H15F3N2O2 — CID 62333331

IUPAC1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(O)CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(18)7-17(2)11(19)16-10-5-3-9(4-6-10)12(13,14)15/h3-6,8,18H,7H2,1-2H3,(H,16,19)
InChIKeyNMGMMGAIUQEUEL-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.55
Rot. Bonds3

About 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 62333331) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID62333331
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(O)CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(18)7-17(2)11(19)16-10-5-3-9(4-6-10)12(13,14)15/h3-6,8,18H,7H2,1-2H3,(H,16,19)
InChIKeyNMGMMGAIUQEUEL-UHFFFAOYSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 51102226
2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80549715
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418
3-(4-fluorophenyl)-1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 60526456
1-(3-amino-2,2-dimethylpropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 79647075
3-(4-tert-butylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578802
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403
1-(1-cyanopropan-2-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 63224865

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CID 62333331) is 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea is CC(O)CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NMGMMGAIUQEUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(18)7-17(2)11(19)16-10-5-3-9(4-6-10)12(13,14)15/h3-6,8,18H,7H2,1-2H3,(H,16,19).
What are the key properties of 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 276.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 62333331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).