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

C12H15F3N2O2 — CID 117235456

IUPAC1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESCC(O)CNC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8(18)6-16-11(19)17-7-9-4-2-3-5-10(9)12(13,14)15/h2-5,8,18H,6-7H2,1H3,(H2,16,17,19)
InChIKeyGYUCNDFECWEBGR-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.89
Rot. Bonds4

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

1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 117235456) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
PubChem CID117235456
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESCC(O)CNC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8(18)6-16-11(19)17-7-9-4-2-3-5-10(9)12(13,14)15/h2-5,8,18H,6-7H2,1H3,(H2,16,17,19)
InChIKeyGYUCNDFECWEBGR-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
methyl 2-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propanoate
CID 62881824
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
1-(3-aminopropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea;hydrochloride
CID 154905922
2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide
CID 62880642
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
3-hydroxy-2-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 82364502
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 111468025

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea (CID 117235456) is 1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea is CC(O)CNC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is GYUCNDFECWEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(18)6-16-11(19)17-7-9-4-2-3-5-10(9)12(13,14)15/h2-5,8,18H,6-7H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea?
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 276.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 117235456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).