1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea

C11H13F3N2O3 — CID 108892530

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NCCOCCO)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3N2O3/c12-7-1-2-8(10(14)9(7)13)16-11(18)15-3-5-19-6-4-17/h1-2,17H,3-6H2,(H2,15,16,18)
InChIKeyRFJIRCXSNZYIAO-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.23
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea

1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108892530) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
PubChem CID108892530
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NCCOCCO)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3N2O3/c12-7-1-2-8(10(14)9(7)13)16-11(18)15-3-5-19-6-4-17/h1-2,17H,3-6H2,(H2,15,16,18)
InChIKeyRFJIRCXSNZYIAO-UHFFFAOYSA-N
XLogP1.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112971807
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019202
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112975591
1-(3-hydroxy-4-methylpentyl)-3-(2,3,4-trifluorophenyl)urea
CID 111472896
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311
4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide
CID 51118537
N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 47224594

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea (CID 108892530) is 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea is O=C(NCCOCCO)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is RFJIRCXSNZYIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-7-1-2-8(10(14)9(7)13)16-11(18)15-3-5-19-6-4-17/h1-2,17H,3-6H2,(H2,15,16,18).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea?
1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 278.23 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108892530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).