1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea

C11H13F3N2O3 — CID 94818397

IUPAC1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESC[C@H](CO)NC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O3/c1-7(6-17)15-10(18)16-8-3-2-4-9(5-8)19-11(12,13)14/h2-5,7,17H,6H2,1H3,(H2,15,16,18)/t7-/m1/s1
InChIKeyUGCUMJFWAMSCAR-SSDOTTSWSA-N
MW278.23 g/mol
LogP2.09
Rot. Bonds4

About 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea

1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea (PubChem CID 94818397) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
PubChem CID94818397
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESC[C@H](CO)NC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O3/c1-7(6-17)15-10(18)16-8-3-2-4-9(5-8)19-11(12,13)14/h2-5,7,17H,6H2,1H3,(H2,15,16,18)/t7-/m1/s1
InChIKeyUGCUMJFWAMSCAR-SSDOTTSWSA-N
XLogP2.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328961
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 95143295
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
(2S)-2-hydroxy-3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107838256
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea (CID 94818397) is 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea is C[C@H](CO)NC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
The InChIKey is UGCUMJFWAMSCAR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7(6-17)15-10(18)16-8-3-2-4-9(5-8)19-11(12,13)14/h2-5,7,17H,6H2,1H3,(H2,15,16,18)/t7-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea has a molecular weight of 278.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 94818397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).