1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea

C16H18F3N3O3 — CID 55747068

IUPAC1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
SMILESCC(Cc1ccco1)NC(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O3/c1-11(7-13-3-2-6-24-13)22-15(23)21-9-12-4-5-20-14(8-12)25-10-16(17,18)19/h2-6,8,11H,7,9-10H2,1H3,(H2,21,22,23)
InChIKeyJDFKSBGGWICVNC-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.05
Rot. Bonds7

About 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea

1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea (PubChem CID 55747068) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
PubChem CID55747068
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
SMILESCC(Cc1ccco1)NC(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O3/c1-11(7-13-3-2-6-24-13)22-15(23)21-9-12-4-5-20-14(8-12)25-10-16(17,18)19/h2-6,8,11H,7,9-10H2,1H3,(H2,21,22,23)
InChIKeyJDFKSBGGWICVNC-UHFFFAOYSA-N
XLogP3.05
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 94030410
1-[(1R)-2-fluoro-1-(4-methoxyphenyl)ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 171787411
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
ethane;1-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
CID 171787255
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
CID 35684633
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342
2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 39502796
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
CID 94029340
1-[2-[1-(1,1-difluoroethyl)cyclopropyl]-2-hydroxyethyl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 170431035
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55738273

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea (CID 55747068) is 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea is CC(Cc1ccco1)NC(=O)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea?
The InChIKey is JDFKSBGGWICVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-11(7-13-3-2-6-24-13)22-15(23)21-9-12-4-5-20-14(8-12)25-10-16(17,18)19/h2-6,8,11H,7,9-10H2,1H3,(H2,21,22,23).
What are the key properties of 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea?
1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea has a molecular weight of 357.33 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 55747068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).