1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea

C13H17F3N2O3 — CID 95266924

IUPAC1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC[C@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O3/c1-21-7-6-17-12(20)18-8-11(19)9-4-2-3-5-10(9)13(14,15)16/h2-5,11,19H,6-8H2,1H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyLWDXFSSNIOAPGV-NSHDSACASA-N
MW306.28 g/mol
LogP1.68
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea

1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea (PubChem CID 95266924) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
PubChem CID95266924
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC[C@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O3/c1-21-7-6-17-12(20)18-8-11(19)9-4-2-3-5-10(9)13(14,15)16/h2-5,11,19H,6-8H2,1H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyLWDXFSSNIOAPGV-NSHDSACASA-N
XLogP1.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167819700
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 94810445
trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 100842374
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
CID 51094275
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97123742
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70731485

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea (CID 95266924) is 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NC[C@H](O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is LWDXFSSNIOAPGV-NSHDSACASA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-21-7-6-17-12(20)18-8-11(19)9-4-2-3-5-10(9)13(14,15)16/h2-5,11,19H,6-8H2,1H3,(H2,17,18,20)/t11-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea?
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 306.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 95266924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).