1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea

C14H17F3N2O3 — CID 110904584

IUPAC1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
SMILESO=C(NCC(O)COc1ccc(C(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)9-1-5-12(6-2-9)22-8-11(20)7-18-13(21)19-10-3-4-10/h1-2,5-6,10-11,20H,3-4,7-8H2,(H2,18,19,21)
InChIKeyWMGOHBXJFDLKEX-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.91
Rot. Bonds6

About 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea

1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea (PubChem CID 110904584) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
PubChem CID110904584
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
SMILESO=C(NCC(O)COc1ccc(C(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)9-1-5-12(6-2-9)22-8-11(20)7-18-13(21)19-10-3-4-10/h1-2,5-6,10-11,20H,3-4,7-8H2,(H2,18,19,21)
InChIKeyWMGOHBXJFDLKEX-UHFFFAOYSA-N
XLogP1.91
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
(2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide
CID 97251720
1-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 52501992
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 119751737
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
CID 94678499
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
CID 119060836
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea (CID 110904584) is 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea is O=C(NCC(O)COc1ccc(C(F)(F)F)cc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea?
The InChIKey is WMGOHBXJFDLKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)9-1-5-12(6-2-9)22-8-11(20)7-18-13(21)19-10-3-4-10/h1-2,5-6,10-11,20H,3-4,7-8H2,(H2,18,19,21).
What are the key properties of 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea?
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea has a molecular weight of 318.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea is sourced from PubChem (CID 110904584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).