1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea

C14H13F3N2O3 — CID 95986802

IUPAC1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NC[C@@H](O)c1ccoc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)10-1-3-11(4-2-10)19-13(21)18-7-12(20)9-5-6-22-8-9/h1-6,8,12,20H,7H2,(H2,18,19,21)/t12-/m1/s1
InChIKeyNWWOPLUGMIVWOC-GFCCVEGCSA-N
MW314.26 g/mol
LogP3.15
Rot. Bonds4

About 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 95986802) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID95986802
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NC[C@@H](O)c1ccoc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)10-1-3-11(4-2-10)19-13(21)18-7-12(20)9-5-6-22-8-9/h1-6,8,12,20H,7H2,(H2,18,19,21)/t12-/m1/s1
InChIKeyNWWOPLUGMIVWOC-GFCCVEGCSA-N
XLogP3.15
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 95986774
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 97106421
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-(3,5-dimethoxyphenyl)-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798422
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95986776
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 95986779
1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63732530
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355
1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 99873238
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 95986802) is 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NC[C@@H](O)c1ccoc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NWWOPLUGMIVWOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c15-14(16,17)10-1-3-11(4-2-10)19-13(21)18-7-12(20)9-5-6-22-8-9/h1-6,8,12,20H,7H2,(H2,18,19,21)/t12-/m1/s1.
What are the key properties of 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 314.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 95986802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).