1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea

C19H21F3N2O3 — CID 22282753

IUPAC1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)15-7-4-8-17(11-15)27-13-16(25)12-24-18(26)23-10-9-14-5-2-1-3-6-14/h1-8,11,16,25H,9-10,12-13H2,(H2,23,24,26)
InChIKeyHRFRKOKEAMVBAK-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.99
Rot. Bonds8

About 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea

1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea (PubChem CID 22282753) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
PubChem CID22282753
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)15-7-4-8-17(11-15)27-13-16(25)12-24-18(26)23-10-9-14-5-2-1-3-6-14/h1-8,11,16,25H,9-10,12-13H2,(H2,23,24,26)
InChIKeyHRFRKOKEAMVBAK-UHFFFAOYSA-N
XLogP2.99
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
4-(2-phenylethylamino)-1-[3-(trifluoromethyl)phenoxy]butan-2-ol
CID 13120386
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-(2-phenylethyl)carbamate
CID 11003436
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
2-benzyl-1-ethyl-3-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]guanidine;hydroiodide
CID 110952493
3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride
CID 120609837
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea (CID 22282753) is 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea?
The InChIKey is HRFRKOKEAMVBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c20-19(21,22)15-7-4-8-17(11-15)27-13-16(25)12-24-18(26)23-10-9-14-5-2-1-3-6-14/h1-8,11,16,25H,9-10,12-13H2,(H2,23,24,26).
What are the key properties of 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea?
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea has a molecular weight of 382.38 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 22282753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).