1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea

C14H19F3N2O3 — CID 110021327

IUPAC1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(NCCCOCCO)Nc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O3/c15-14(16,17)10-11-3-1-4-12(9-11)19-13(21)18-5-2-7-22-8-6-20/h1,3-4,9,20H,2,5-8,10H2,(H2,18,19,21)
InChIKeyBWSUJIHZYDNNMI-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.31
Rot. Bonds8

About 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea

1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea (PubChem CID 110021327) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
PubChem CID110021327
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(NCCCOCCO)Nc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O3/c15-14(16,17)10-11-3-1-4-12(9-11)19-13(21)18-5-2-7-22-8-6-20/h1,3-4,9,20H,2,5-8,10H2,(H2,18,19,21)
InChIKeyBWSUJIHZYDNNMI-UHFFFAOYSA-N
XLogP2.31
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.31
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

1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475757
1-[3-(aminomethyl)phenyl]-3-(5,5,5-trifluoropentyl)urea
CID 115521151
methyl (2R)-2-methyl-3-[[3-(2,2,2-trifluoroethyl)phenyl]carbamoylamino]propanoate
CID 97048361
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021320
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
1-(2-hydroxy-4-methylpentyl)-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475762
2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864
1-(3-butoxypropyl)-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825525
ethyl 3-(3-propoxypropylcarbamoylamino)benzoate
CID 3693237
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019202
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
1-(2-butoxyethyl)-3-(3-methylphenyl)urea
CID 141077224

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea?
The IUPAC name of 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea (CID 110021327) is 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea?
The canonical SMILES for 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea is O=C(NCCCOCCO)Nc1cccc(CC(F)(F)F)c1.
What is the InChIKey of 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea?
The InChIKey is BWSUJIHZYDNNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c15-14(16,17)10-11-3-1-4-12(9-11)19-13(21)18-5-2-7-22-8-6-20/h1,3-4,9,20H,2,5-8,10H2,(H2,18,19,21).
What are the key properties of 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea?
1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea has a molecular weight of 320.31 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethoxy)propyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea is sourced from PubChem (CID 110021327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).