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

C16H18F3N3O3 — CID 86988784

IUPAC1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCN(C)c1ccc(NC(=O)NCC(O)c2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O3/c1-22(2)10-5-6-12(11(8-10)16(17,18)19)21-15(24)20-9-13(23)14-4-3-7-25-14/h3-8,13,23H,9H2,1-2H3,(H2,20,21,24)
InChIKeyYPAJAWYYAAIROI-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.22
Rot. Bonds5

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

1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 86988784) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID86988784
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCN(C)c1ccc(NC(=O)NCC(O)c2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O3/c1-22(2)10-5-6-12(11(8-10)16(17,18)19)21-15(24)20-9-13(23)14-4-3-7-25-14/h3-8,13,23H,9H2,1-2H3,(H2,20,21,24)
InChIKeyYPAJAWYYAAIROI-UHFFFAOYSA-N
XLogP3.22
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(Furan-2-yl)-2-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 71782647
4-[[2-(Furan-2-yl)-2-hydroxyethyl]amino]-3-(trifluoromethyl)benzonitrile
CID 71874969
4-(dimethylamino)-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782554
1-(4-Fluorobenzyl)-3-(2-hydroxy-2-(5-methylfuran-2-yl)ethyl)urea
CID 49670534
1-(2,6-Difluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]urea
CID 49670535
1-(2-Hydroxy-2-(5-methylfuran-2-yl)ethyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49676711
1-(2-Cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-3-(2,6-difluorophenyl)urea
CID 71781554
1-(2-Cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 71781559
1-(3-(Furan-2-yl)-3-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 71787778
1-(3-(2,5-Dimethylfuran-3-yl)-3-hydroxypropyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 71804620
1-[4-(Furan-2-yl)-4-hydroxybutan-2-yl]-3-(1-methyl-2,3-dihydroindol-4-yl)urea
CID 75379948
N1-(2-(furan-2-yl)-2-methoxyethyl)-N2-(2-(trifluoromethyl)phenyl)oxalamide
CID 76150010

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 86988784) is 1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is CN(C)c1ccc(NC(=O)NCC(O)c2ccco2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is YPAJAWYYAAIROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-22(2)10-5-6-12(11(8-10)16(17,18)19)21-15(24)20-9-13(23)14-4-3-7-25-14/h3-8,13,23H,9H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 357.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 86988784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).