1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea

C18H19F3N2O3 — CID 19868741

IUPAC1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea
SMILESCC(Oc1ccc(C(C)N(O)C(N)=O)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3/c1-11(23(25)17(22)24)13-5-9-16(10-6-13)26-12(2)14-3-7-15(8-4-14)18(19,20)21/h3-12,25H,1-2H3,(H2,22,24)
InChIKeyHLAXPEKHLRRRDC-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.68
Rot. Bonds5

About 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea

1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea (PubChem CID 19868741) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea
PubChem CID19868741
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea
SMILESCC(Oc1ccc(C(C)N(O)C(N)=O)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3/c1-11(23(25)17(22)24)13-5-9-16(10-6-13)26-12(2)14-3-7-15(8-4-14)18(19,20)21/h3-12,25H,1-2H3,(H2,22,24)
InChIKeyHLAXPEKHLRRRDC-UHFFFAOYSA-N
XLogP4.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
CID 162519931
sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide
CID 173366531
2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide
CID 88651998
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128231
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
(Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane
CID 144730879
N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111183
4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128251
2-methyl-3-[4-(trifluoromethyl)phenoxy]butanoic acid
CID 146593687
4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide
CID 141128173
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea (CID 19868741) is 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea is CC(Oc1ccc(C(C)N(O)C(N)=O)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea?
The InChIKey is HLAXPEKHLRRRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-11(23(25)17(22)24)13-5-9-16(10-6-13)26-12(2)14-3-7-15(8-4-14)18(19,20)21/h3-12,25H,1-2H3,(H2,22,24).
What are the key properties of 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea?
1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea has a molecular weight of 368.36 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea is sourced from PubChem (CID 19868741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).