1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea

C14H13F3N2O4 — CID 110891153

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O4/c15-14(16,17)23-10-4-1-3-9(7-10)19-13(21)18-8-11(20)12-5-2-6-22-12/h1-7,11,20H,8H2,(H2,18,19,21)
InChIKeyFSEMOWADRDZHEV-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.03
Rot. Bonds5

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea (PubChem CID 110891153) has the molecular formula C14H13F3N2O4 and a molecular weight of 330.26 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
PubChem CID110891153
Molecular FormulaC14H13F3N2O4
Molecular Weight330.26 g/mol
Exact Mass330.08
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O4/c15-14(16,17)23-10-4-1-3-9(7-10)19-13(21)18-8-11(20)12-5-2-6-22-12/h1-7,11,20H,8H2,(H2,18,19,21)
InChIKeyFSEMOWADRDZHEV-UHFFFAOYSA-N
XLogP3.03
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86988466
(2S)-2-hydroxy-3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107838256
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 47033484
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-[3-(difluoromethylsulfanyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110929150
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111475157
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea (CID 110891153) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea is O=C(NCC(O)c1ccco1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The InChIKey is FSEMOWADRDZHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4/c15-14(16,17)23-10-4-1-3-9(7-10)19-13(21)18-8-11(20)12-5-2-6-22-12/h1-7,11,20H,8H2,(H2,18,19,21).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea has a molecular weight of 330.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 110891153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).