1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea

C12H15F3N2O3 — CID 106184189

IUPAC1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOCC(CO)NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3/c1-20-7-10(6-18)17-11(19)16-9-4-2-3-8(5-9)12(13,14)15/h2-5,10,18H,6-7H2,1H3,(H2,16,17,19)
InChIKeyYBTVJIZVKDQSQY-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.83
Rot. Bonds5

About 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 106184189) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID106184189
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOCC(CO)NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3/c1-20-7-10(6-18)17-11(19)16-9-4-2-3-8(5-9)12(13,14)15/h2-5,10,18H,6-7H2,1H3,(H2,16,17,19)
InChIKeyYBTVJIZVKDQSQY-UHFFFAOYSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
(2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate
CID 2025588
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90501203
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid
CID 27209117
2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide
CID 106187310

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 106184189) is 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea is COCC(CO)NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is YBTVJIZVKDQSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-20-7-10(6-18)17-11(19)16-9-4-2-3-8(5-9)12(13,14)15/h2-5,10,18H,6-7H2,1H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 292.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 106184189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).