1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea

C17H18F3N3O2 — CID 47039016

IUPAC1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccoc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)13-3-4-15(23-6-1-2-7-23)14(9-13)22-16(24)21-10-12-5-8-25-11-12/h3-5,8-9,11H,1-2,6-7,10H2,(H2,21,22,24)
InChIKeyIGSXSXIFMVZARK-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.22
Rot. Bonds4

About 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea

1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea (PubChem CID 47039016) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
PubChem CID47039016
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccoc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)13-3-4-15(23-6-1-2-7-23)14(9-13)22-16(24)21-10-12-5-8-25-11-12/h3-5,8-9,11H,1-2,6-7,10H2,(H2,21,22,24)
InChIKeyIGSXSXIFMVZARK-UHFFFAOYSA-N
XLogP4.22
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 126781306
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032652
1-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55702002
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 129032643
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
2-(3-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55380507
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea (CID 47039016) is 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea is O=C(NCc1ccoc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea?
The InChIKey is IGSXSXIFMVZARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)13-3-4-15(23-6-1-2-7-23)14(9-13)22-16(24)21-10-12-5-8-25-11-12/h3-5,8-9,11H,1-2,6-7,10H2,(H2,21,22,24).
What are the key properties of 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea?
1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea has a molecular weight of 353.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 47039016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).